7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-7-phenyl-heptyl)sulfanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-7-phenyl-heptyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-7-phenyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-7-phenylheptyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-7-phenylheptyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-7-phenyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C28H44O4S MolecularWeight: 476.71156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CCCCC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C28H44O4S/c1-27(2,20-12-11-15-22-13-7-6-8-14-22)28(3,32)21-33-25-19-18-24(29)23(25)16-9-4-5-10-17-26(30)31/h6-8,13-14,23,25,32H,4-5,9-12,15-21H2,1-3H3,(H,30,31)