3-methyl-2-naphthalen-1-yl-4-sulfanyl-benzoic acid

Systemtic Name: 3-methyl-2-naphthalen-1-yl-4-sulfanyl-benzoic acid Openeye Name: 3-methyl-2-(1-naphthyl)-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-3-methyl-2-(1-naphthalenyl)benzoic acid IUPAC Name: 3-methyl-2-naphthalen-1-yl-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-3-methyl-2-(1-naphthyl)benzoic acid Formula: C18H14O2S MolecularWeight: 294.36756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=CC3=CC=CC=C32)C(=O)O)S

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=CC3=CC=CC=C32)C(=O)O)S

InChI

InChI=1S/C18H14O2S/c1-11-16(21)10-9-15(18(19)20)17(11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,21H,1H3,(H,19,20)