2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-3-propylsulfanyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-3-propylsulfanyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-3-propylsulfanyl-propyl]sulfanylacetic acid CAS Name: 2-[[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(propylthio)propyl]thio]acetic acid IUPAC Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-propylsulfanylpropyl]sulfanylacetic acid Traditional Name: 2-[[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-3-(propylthio)propyl]thio]acetic acid Formula: C26H34O4S2 MolecularWeight: 474.67576

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)C(CSCC(=O)O)O

Isomeric SMILES

CCCSC(C1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)C(CSCC(=O)O)O

InChI

InChI=1S/C26H34O4S2/c1-2-15-32-26(23(27)17-31-18-24(28)29)22-14-8-13-21(20-11-6-7-12-20)25(22)30-16-19-9-4-3-5-10-19/h3-5,8-10,13-14,20,23,26-27H,2,6-7,11-12,15-18H2,1H3,(H,28,29)