5-bromanyl-8-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-naphthalene-1-carboxylic acid

Systemtic Name: 5-bromanyl-8-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-naphthalene-1-carboxylic acid Openeye Name: 5-bromo-8-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-naphthalene-1-carboxylic acid CAS Name: 5-bromo-8-[(1-hydroxy-1-oxopropan-2-yl)thio]-1-naphthalenecarboxylic acid IUPAC Name: 5-bromo-8-(1-hydroxy-1-oxopropan-2-yl)sulfanylnaphthalene-1-carboxylic acid Traditional Name: 5-bromo-8-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-1-naphthoic acid Formula: C14H11BrO4S MolecularWeight: 355.20374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C2C(=C(C=C1)Br)C=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)O)SC1=C2C(=C(C=C1)Br)C=CC=C2C(=O)O

InChI

InChI=1S/C14H11BrO4S/c1-7(13(16)17)20-11-6-5-10(15)8-3-2-4-9(12(8)11)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)