5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylic acid

Systemtic Name: 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylic acid Openeye Name: 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylic acid CAS Name: 5,5-dimethyl-8-(phenylthio)-6H-naphthalene-2-carboxylic acid IUPAC Name: 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylic acid Traditional Name: 5,5-dimethyl-8-(phenylthio)-6H-naphthalene-2-carboxylic acid Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=O)O)SC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=O)O)SC3=CC=CC=C3)C

InChI

InChI=1S/C19H18O2S/c1-19(2)11-10-17(22-14-6-4-3-5-7-14)15-12-13(18(20)21)8-9-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,21)