4-heptoxy-4-(3-nonoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-heptoxy-4-(3-nonoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-heptoxy-4-(3-nonoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-heptoxy-4-(3-nonoxy-4-phenylphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-heptoxy-4-(3-nonoxy-4-phenylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-heptoxy-4-(3-nonoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C35H48O4 MolecularWeight: 532.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=CC(=C1)C2(C=CC(C=C2)C(=O)O)OCCCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCOC1=C(C=CC(=C1)C2(C=CC(C=C2)C(=O)O)OCCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C35H48O4/c1-3-5-7-9-10-12-16-26-38-33-28-31(20-21-32(33)29-18-14-13-15-19-29)35(39-27-17-11-8-6-4-2)24-22-30(23-25-35)34(36)37/h13-15,18-25,28,30H,3-12,16-17,26-27H2,1-2H3,(H,36,37)