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

Systemtic Name: 4-heptoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-heptoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-heptoxy-4-(3-octoxy-4-phenylphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-heptoxy-4-(3-octoxy-4-phenylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-heptoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C34H46O4 MolecularWeight: 518.72664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C2(C=CC(C=C2)C(=O)O)OCCCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)C2(C=CC(C=C2)C(=O)O)OCCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C34H46O4/c1-3-5-7-9-11-15-25-37-32-27-30(19-20-31(32)28-17-13-12-14-18-28)34(38-26-16-10-8-6-4-2)23-21-29(22-24-34)33(35)36/h12-14,17-24,27,29H,3-11,15-16,25-26H2,1-2H3,(H,35,36)