6-[(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-(4,4,7-trimethyltetralin-6-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 6-[(4,4,7-trimethyltetralin-6-yl)thio]nicotinic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCCC2(C)C)SC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)CCCC2(C)C)SC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21NO2S/c1-12-9-13-5-4-8-19(2,3)15(13)10-16(12)23-17-7-6-14(11-20-17)18(21)22/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)