Chemical Name: Butanedioic acid
IUPAC Name: butanedioic acid
CAS RN: 110-15-6
Description: single chemical compound
STRUCTURE Formula: C4H6O4
Molecular Weight: 118.088
SMILES: C(O)(=O)CCC(O)=O
Note:
Chemical Name: 2-Butenedioic acid (2Z)-
IUPAC Name: (2Z)-but-2-enedioic acid
CAS RN: 110-16-7
Description: single chemical compound
STRUCTURE Formula: C4H4O4
Molecular Weight: 116.0722
SMILES: O=C(O)C=C/C(O)=O
Note: same 2D structure of trans isomer [110-17-8], stereochem
Chemical Name: 2-Butenedioic acid (2E)-
IUPAC Name: (2E)-but-2-enedioic acid
CAS RN: 110-17-8
Description: single chemical compound
STRUCTURE Formula: C4H4O4
Molecular Weight: 116.0722
SMILES: OC(/C=C/C(O)=O)=O
Note: same 2D structure of cis isomer [110-16-7], stereochem
Chemical Name: 1,2-Ethanediamine, N,N,N',N'-tetramethyl-
IUPAC Name: N,N,N',N'-tetramethylethane-1,2-diamine
CAS RN: 110-18-9
Description: single chemical compound
STRUCTURE Formula: C6H16N2
Molecular Weight: 116.2046
SMILES: N(CCN(C)C)(C)C
Note:
Chemical Name: Acetic acid, 2-methylpropyl ester
IUPAC Name: isobutyl acetate
CAS RN: 110-19-0
Description: single chemical compound
STRUCTURE Formula: C6H12O2
Molecular Weight: 116.1583
SMILES: O=C(C)OCC(C)C
Note:
Chemical Name: Tetradecanoic acid, 1-methylethyl ester
IUPAC Name: isopropyl myristate
CAS RN: 110-27-0
Description: single chemical compound
STRUCTURE Formula: C17H34O2
Molecular Weight: 270.4507
SMILES: O=C(OC(C)C)CCCCCCCCCCCCC
Note:
Chemical Name: Hexanedioic acid, decyl octyl ester
IUPAC Name: decyl octyl adipate
CAS RN: 110-29-2
Description: single chemical compound
STRUCTURE Formula: C24H46O4
Molecular Weight: 398.6196
SMILES: O=C(OCCCCCCCC)CCCCC(OCCCCCCCCCC)=O
Note:
Chemical Name: Octadecanamide, N,N'-1,2-ethanediylbis-
IUPAC Name: N,N'-ethane-1,2-diyldioctadecanamide
CAS RN: 110-30-5
Description: single chemical compound
STRUCTURE Formula: C38H76N2O2
Molecular Weight: 593.0222
SMILES: O=C(CCCCCCCCCCCCCCCCC)NCCNC(CCCCCCCCCCCCCCCCC)=O
Note:
Chemical Name: Hexanedioic acid, dihexyl ester
IUPAC Name: dihexyl adipate
CAS RN: 110-33-8
Description: single chemical compound
STRUCTURE Formula: C18H34O4
Molecular Weight: 314.4602
SMILES: O=C(OCCCCCC)CCCCC(OCCCCCC)=O
Note:
Chemical Name: Decanoic acid, methyl ester
IUPAC Name: methyl decanoate
CAS RN: 110-42-9
Description: single chemical compound
STRUCTURE Formula: C11H22O2
Molecular Weight: 186.2912
SMILES: O=C(OC)CCCCCCCCC
Note:
Chemical Name: 2-Heptanone
IUPAC Name: heptan-2-one
CAS RN: 110-43-0
Description: single chemical compound
STRUCTURE Formula: C7H14O
Molecular Weight: 114.1855
SMILES: CCCCCC(=O)C
Note:
Chemical Name: 2,4-Hexadienoic acid, (2E,4E)-
IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid
CAS RN: 110-44-1
Description: single chemical compound
STRUCTURE Formula: C6H8O2
Molecular Weight: 112.1265
SMILES: OC(=O)C=CC=CC
Note: stereochem
Chemical Name: Hexane
IUPAC Name: hexane
CAS RN: 110-54-3
Description: single chemical compound
STRUCTURE Formula: C6H14
Molecular Weight: 86.1754
SMILES: CCCCCC
Note:
Chemical Name: 2-Butene, 1,4-dichloro-, (2E)-
IUPAC Name: (2E)-1,4-dichlorobut-2-ene
CAS RN: 110-57-6
Description: single chemical compound
STRUCTURE Formula: C4H6Cl2
Molecular Weight: 124.9964
SMILES: ClC/C=C/CCl
Note: stereochem
Chemical Name: Pentanal
IUPAC Name: pentanal
CAS RN: 110-62-3
Description: single chemical compound
STRUCTURE Formula: C5H10O
Molecular Weight: 86.1323
SMILES: CCCCC=O
Note:
Chemical Name: 1,4-Butanediol
IUPAC Name: butane-1,4-diol
CAS RN: 110-63-4
Description: single chemical compound
STRUCTURE Formula: C4H10O2
Molecular Weight: 90.121
SMILES: OCCCCO
Note:
Chemical Name: 2-Butene-1,4-diol
IUPAC Name: (2E)-but-2-ene-1,4-diol
CAS RN: 110-64-5
Description: mixture or formulation
STRUCTURE Formula: C4H8O2
Molecular Weight: 88.1051
SMILES: OC/C=C/CO
Note: mixture of Z [6117-80-2], E [821-11-4] isomers, structure shown E, stereochem
Chemical Name: 2-Butyne-1,4-diol
IUPAC Name: but-2-yne-1,4-diol
CAS RN: 110-65-6
Description: single chemical compound
STRUCTURE Formula: C4H6O2
Molecular Weight: 86.0892
SMILES: C(O)C#CC(O)
Note:
Chemical Name: Propanenitrile, 3-methoxy-
IUPAC Name: 3-methoxypropanenitrile
CAS RN: 110-67-8
Description: single chemical compound
STRUCTURE Formula: C4H7NO
Molecular Weight: 85.1045
SMILES: N#CCCOC
Note:
Chemical Name: Ethane, 1,2-dimethoxy-
IUPAC Name: 1,2-dimethoxyethane
CAS RN: 110-71-4
Description: single chemical compound
STRUCTURE Formula: C4H10O2
Molecular Weight: 90.121
SMILES: C(OC)COC
Note:
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