4-[(E)-1-oxidanyl-1-oxidanylidene-7-[4-(4-phenoxybutoxy)phenyl]hept-5-en-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(E)-1-oxidanyl-1-oxidanylidene-7-[4-(4-phenoxybutoxy)phenyl]hept-5-en-2-yl]sulfanylbenzoic acid Openeye Name: 4-[(E)-1-carboxy-6-[4-(4-phenoxybutoxy)phenyl]hex-4-enyl]sulfanylbenzoic acid CAS Name: 4-[[(E)-1-hydroxy-1-oxo-7-[4-(4-phenoxybutoxy)phenyl]hept-5-en-2-yl]thio]benzoic acid IUPAC Name: 4-[(E)-1-hydroxy-1-oxo-7-[4-(4-phenoxybutoxy)phenyl]hept-5-en-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[(E)-1-carboxy-6-[4-(4-phenoxybutoxy)phenyl]hex-4-enyl]thio]benzoic acid Formula: C30H32O6S MolecularWeight: 520.63648

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H32O6S/c31-29(32)24-15-19-27(20-16-24)37-28(30(33)34)12-6-1-3-9-23-13-17-26(18-14-23)36-22-8-7-21-35-25-10-4-2-5-11-25/h1-5,10-11,13-20,28H,6-9,12,21-22H2,(H,31,32)(H,33,34)/b3-1+