(E)-4-(2-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid

Systemtic Name: (E)-4-(2-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid Openeye Name: (E)-4-(2-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid CAS Name: (E)-4-[(2-methoxycarbonylphenyl)thio]-7-[4-(4-phenoxybutoxy)phenyl]-5-heptenoic acid IUPAC Name: (E)-4-(2-methoxycarbonylphenyl)sulfanyl-7-[4-(4-phenoxybutoxy)phenyl]hept-5-enoic acid Traditional Name: (E)-4-[(2-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=CC=C1SC(CCC(=O)O)C=CCC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC(CCC(=O)O)/C=C/CC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C31H34O6S/c1-35-31(34)28-14-5-6-15-29(28)38-27(20-21-30(32)33)13-9-10-24-16-18-26(19-17-24)37-23-8-7-22-36-25-11-3-2-4-12-25/h2-6,9,11-19,27H,7-8,10,20-23H2,1H3,(H,32,33)/b13-9+