3-oxidanyl-4-[(2-propan-2-ylphenyl)sulfanylmethyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-oxidanyl-4-[(2-propan-2-ylphenyl)sulfanylmethyl]naphthalene-2-carboxylic acid Openeye Name: 3-hydroxy-4-[(2-isopropylphenyl)sulfanylmethyl]naphthalene-2-carboxylic acid CAS Name: 3-hydroxy-4-[[(2-propan-2-ylphenyl)thio]methyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-4-[(2-propan-2-ylphenyl)sulfanylmethyl]naphthalene-2-carboxylic acid Traditional Name: 3-hydroxy-4-[(o-cumenylthio)methyl]-2-naphthoic acid Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SCC2=C(C(=CC3=CC=CC=C32)C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SCC2=C(C(=CC3=CC=CC=C32)C(=O)O)O

InChI

InChI=1S/C21H20O3S/c1-13(2)15-8-5-6-10-19(15)25-12-18-16-9-4-3-7-14(16)11-17(20(18)22)21(23)24/h3-11,13,22H,12H2,1-2H3,(H,23,24)