4-(6-methylheptan-2-ylsulfanyl)benzoic acid

Systemtic Name: 4-(6-methylheptan-2-ylsulfanyl)benzoic acid Openeye Name: 4-(1,5-dimethylhexylsulfanyl)benzoic acid CAS Name: 4-(6-methylheptan-2-ylthio)benzoic acid IUPAC Name: 4-(6-methylheptan-2-ylsulfanyl)benzoic acid Traditional Name: 4-(1,5-dimethylhexylthio)benzoic acid Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)SC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CCCC(C)SC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O2S/c1-11(2)5-4-6-12(3)18-14-9-7-13(8-10-14)15(16)17/h7-12H,4-6H2,1-3H3,(H,16,17)