4-[(E)-7-oxidanyl-7-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(E)-7-oxidanyl-7-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoic acid Openeye Name: 4-[(E)-1-(2-carboxyethyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]sulfanylbenzoic acid CAS Name: 4-[[(E)-7-hydroxy-7-oxo-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]thio]benzoic acid IUPAC Name: 4-[(E)-7-hydroxy-7-oxo-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoic acid Traditional Name: 4-[[(E)-1-(2-carboxyethyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]thio]benzoic acid Formula: C30H32O6S MolecularWeight: 520.63648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)CC=CC(CCC(=O)O)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C/C=C/C(CCC(=O)O)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C30H32O6S/c31-29(32)20-19-27(37-28-17-13-24(14-18-28)30(33)34)10-6-7-23-11-15-26(16-12-23)36-22-5-4-21-35-25-8-2-1-3-9-25/h1-3,6,8-18,27H,4-5,7,19-22H2,(H,31,32)(H,33,34)/b10-6+