2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(3-methoxyphenyl)sulfanyl-2-oxidanyl-propoxy]ethanoate

Systemtic Name: 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(3-methoxyphenyl)sulfanyl-2-oxidanyl-propoxy]ethanoate Openeye Name: 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-3-(3-methoxyphenyl)sulfanyl-propoxy]acetate CAS Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-[(3-methoxyphenyl)thio]propoxy]acetate IUPAC Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(3-methoxyphenyl)sulfanylpropoxy]acetate Traditional Name: 2-[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-3-[(3-methoxyphenyl)thio]propoxy]acetate Formula: C30H33O6S- MolecularWeight: 521.64442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC(C2=CC=CC(=C2OCC3=CC=CC=C3)C4CCCC4)C(COCC(=O)[O-])O

Isomeric SMILES

COC1=CC(=CC=C1)SC(C2=CC=CC(=C2OCC3=CC=CC=C3)C4CCCC4)C(COCC(=O)[O-])O

InChI

InChI=1S/C30H34O6S/c1-34-23-13-7-14-24(17-23)37-30(27(31)19-35-20-28(32)33)26-16-8-15-25(22-11-5-6-12-22)29(26)36-18-21-9-3-2-4-10-21/h2-4,7-10,13-17,22,27,30-31H,5-6,11-12,18-20H2,1H3,(H,32,33)/p-1