(3-methylphenyl) 4-(8-oxidanylidene-7-propanoyl-decyl)benzoate

Systemtic Name: (3-methylphenyl) 4-(8-oxidanylidene-7-propanoyl-decyl)benzoate Openeye Name: m-tolyl 4-(8-oxo-7-propanoyl-decyl)benzoate CAS Name: 4-[8-oxo-7-(1-oxopropyl)decyl]benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-(8-oxo-7-propanoyldecyl)benzoate Traditional Name: 4-(8-keto-7-propionyl-decyl)benzoic acid m-tolyl ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C)C(=O)CC

InChI

InChI=1S/C27H34O4/c1-4-25(28)24(26(29)5-2)14-9-7-6-8-12-21-15-17-22(18-16-21)27(30)31-23-13-10-11-20(3)19-23/h10-11,13,15-19,24H,4-9,12,14H2,1-3H3