sodium 3-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: sodium 3-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: sodium 3-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: sodium 3-[[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoate IUPAC Name: sodium 3-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: sodium 3-[[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]thio]propionate Formula: C24H29NaO4S MolecularWeight: 436.53943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)CC(CSCCC(=O)[O-])O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)CC(CSCCC(=O)[O-])O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H30O4S.Na/c25-21(17-29-14-13-23(26)27)15-20-11-6-12-22(19-9-4-5-10-19)24(20)28-16-18-7-2-1-3-8-18;/h1-3,6-8,11-12,19,21,25H,4-5,9-10,13-17H2,(H,26,27);/q;+1/p-1