7-(1-methyl-2-oxidanyl-5-oxidanylidene-cyclopentyl)heptanoic acid; 3-phenylthiocane

Systemtic Name: 7-(1-methyl-2-oxidanyl-5-oxidanylidene-cyclopentyl)heptanoic acid; 3-phenylthiocane Openeye Name: 7-(2-hydroxy-1-methyl-5-oxo-cyclopentyl)heptanoic acid; 3-phenylthiocane CAS Name: 7-(2-hydroxy-1-methyl-5-oxocyclopentyl)heptanoic acid; 3-phenylthiocane IUPAC Name: 7-(2-hydroxy-1-methyl-5-oxocyclopentyl)heptanoic acid; 3-phenylthiocane Traditional Name: 7-(2-hydroxy-5-keto-1-methyl-cyclopentyl)enanthic acid; 3-phenylthiocane Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1=O)O)CCCCCCC(=O)O.C1CCC(CSCC1)C2=CC=CC=C2

Isomeric SMILES

CC1(C(CCC1=O)O)CCCCCCC(=O)O.C1CCC(CSCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H22O4.C13H18S/c1-13(10(14)7-8-11(13)15)9-5-3-2-4-6-12(16)17;1-3-7-12(8-4-1)13-9-5-2-6-10-14-11-13/h10,14H,2-9H2,1H3,(H,16,17);1,3-4,7-8,13H,2,5-6,9-11H2