[4-(8-oxidanylidene-7-propanoyl-decyl)phenyl] 2-methylbenzoate

Systemtic Name: [4-(8-oxidanylidene-7-propanoyl-decyl)phenyl] 2-methylbenzoate Openeye Name: [4-(8-oxo-7-propanoyl-decyl)phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[8-oxo-7-(1-oxopropyl)decyl]phenyl] ester IUPAC Name: [4-(8-oxo-7-propanoyldecyl)phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-(8-keto-7-propionyl-decyl)phenyl] ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C)C(=O)CC

InChI

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