O1-ethyl O2-methyl 4-nonyl-3-oxidanyl-6-(phenylcarbonyl)benzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-methyl 4-nonyl-3-oxidanyl-6-(phenylcarbonyl)benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 6-benzoyl-3-hydroxy-4-nonyl-benzene-1,2-dicarboxylate CAS Name: 6-benzoyl-3-hydroxy-4-nonylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 6-benzoyl-3-hydroxy-4-nonylbenzene-1,2-dicarboxylate Traditional Name: 6-benzoyl-3-hydroxy-4-nonyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C27H34O6/c1-4-6-7-8-9-10-12-17-20-18-21(24(28)19-15-13-11-14-16-19)22(27(31)33-5-2)23(25(20)29)26(30)32-3/h11,13-16,18,29H,4-10,12,17H2,1-3H3