4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid CAS Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4-carboxybenzyl)-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid Formula: C32H36O5 MolecularWeight: 500.62524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C=CC(CCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1/C=C/C(CCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C32H36O5/c1-2-3-4-7-22-37-30-9-6-5-8-27(30)17-14-25(23-26-15-20-29(21-16-26)32(35)36)11-10-24-12-18-28(19-13-24)31(33)34/h5-6,8-9,12-21,25H,2-4,7,10-11,22-23H2,1H3,(H,33,34)(H,35,36)/b17-14+