[4-[(E)-3-(4-hexylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-pentoxybenzoate

Systemtic Name: [4-[(E)-3-(4-hexylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-pentoxybenzoate Openeye Name: [4-[(E)-3-(4-hexylphenyl)-3-oxo-prop-1-enyl]phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[(E)-3-(4-hexylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-hexylphenyl)-3-oxoprop-1-enyl]phenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[(E)-3-(4-hexylphenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C33H38O4 MolecularWeight: 498.65242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCC

InChI

InChI=1S/C33H38O4/c1-3-5-7-8-10-26-11-16-28(17-12-26)32(34)24-15-27-13-20-31(21-14-27)37-33(35)29-18-22-30(23-19-29)36-25-9-6-4-2/h11-24H,3-10,25H2,1-2H3/b24-15+