7-(6,6-dimethyl-7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-2,2-dimethyl-heptanoic acid

Systemtic Name: 7-(6,6-dimethyl-7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-2,2-dimethyl-heptanoic acid Openeye Name: 7-(7-hydroxy-6,6-dimethyl-7-oxo-heptyl)sulfanyl-2,2-dimethyl-heptanoic acid CAS Name: 7-[(7-hydroxy-6,6-dimethyl-7-oxoheptyl)thio]-2,2-dimethylheptanoic acid IUPAC Name: 7-(7-hydroxy-6,6-dimethyl-7-oxoheptyl)sulfanyl-2,2-dimethylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-6,6-dimethyl-heptyl)thio]-2,2-dimethyl-enanthic acid Formula: C18H34O4S MolecularWeight: 346.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCSCCCCCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCCCCSCCCCCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H34O4S/c1-17(2,15(19)20)11-7-5-9-13-23-14-10-6-8-12-18(3,4)16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22)