3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2,3-bis(oxidanyl)propyl]sulfanylpropanoate

Systemtic Name: 3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2,3-bis(oxidanyl)propyl]sulfanylpropanoate Openeye Name: 3-[1-(2-benzyloxy-3-cyclopentyl-phenyl)-2,3-dihydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2,3-dihydroxypropyl]thio]propanoate IUPAC Name: 3-[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2,3-dihydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[1-(2-benzoxy-3-cyclopentyl-phenyl)-2,3-dihydroxy-propyl]thio]propionate Formula: C24H29O5S- MolecularWeight: 429.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)C(C(CO)O)SCCC(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)C(C(CO)O)SCCC(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H30O5S/c25-15-21(26)24(30-14-13-22(27)28)20-12-6-11-19(18-9-4-5-10-18)23(20)29-16-17-7-2-1-3-8-17/h1-3,6-8,11-12,18,21,24-26H,4-5,9-10,13-16H2,(H,27,28)/p-1