4-(4-methoxy-3-propan-2-yl-phenyl)carbonylsulfanylbenzoic acid

Systemtic Name: 4-(4-methoxy-3-propan-2-yl-phenyl)carbonylsulfanylbenzoic acid Openeye Name: 4-(3-isopropyl-4-methoxy-benzoyl)sulfanylbenzoic acid CAS Name: 4-[[(4-methoxy-3-propan-2-ylphenyl)-oxomethyl]thio]benzoic acid IUPAC Name: 4-(4-methoxy-3-propan-2-ylbenzoyl)sulfanylbenzoic acid Traditional Name: 4-[(3-isopropyl-4-methoxy-benzoyl)thio]benzoic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)SC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)SC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C18H18O4S/c1-11(2)15-10-13(6-9-16(15)22-3)18(21)23-14-7-4-12(5-8-14)17(19)20/h4-11H,1-3H3,(H,19,20)