(E)-4-(4-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid

Systemtic Name: (E)-4-(4-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid Openeye Name: (E)-4-(4-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid CAS Name: (E)-4-[(4-methoxycarbonylphenyl)thio]-7-[4-(4-phenoxybutoxy)phenyl]-5-heptenoic acid IUPAC Name: (E)-4-(4-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid Traditional Name: (E)-4-[(4-carbomethoxyphenyl)thio]-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid Formula: C31H34O6S MolecularWeight: 534.66306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CCC(=O)O)C=CCC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CCC(=O)O)/C=C/CC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C31H34O6S/c1-35-31(34)25-14-18-29(19-15-25)38-28(20-21-30(32)33)11-7-8-24-12-16-27(17-13-24)37-23-6-5-22-36-26-9-3-2-4-10-26/h2-4,7,9-19,28H,5-6,8,20-23H2,1H3,(H,32,33)/b11-7+