3-[(4-tert-butylphenyl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-tert-butylphenyl)thio]methyl]benzoate IUPAC Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-tert-butylphenyl)thio]methyl]benzoate Formula: C18H19O2S- MolecularWeight: 299.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H20O2S/c1-18(2,3)15-7-9-16(10-8-15)21-12-13-5-4-6-14(11-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)/p-1