2-(4-tert-butylphenyl)sulfanyl-7-phenyl-heptanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-7-phenyl-heptanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-7-phenyl-heptanoic acid CAS Name: 2-[(4-tert-butylphenyl)thio]-7-phenylheptanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-7-phenylheptanoic acid Traditional Name: 2-[(4-tert-butylphenyl)thio]-7-phenyl-enanthic acid Formula: C23H30O2S MolecularWeight: 370.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(CCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(CCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H30O2S/c1-23(2,3)19-14-16-20(17-15-19)26-21(22(24)25)13-9-5-8-12-18-10-6-4-7-11-18/h4,6-7,10-11,14-17,21H,5,8-9,12-13H2,1-3H3,(H,24,25)