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

Systemtic Name: 5-bromanyl-8-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-naphthalene-1-carboxylic acid Openeye Name: 5-bromo-8-(1-carboxypropylsulfanyl)naphthalene-1-carboxylic acid CAS Name: 5-bromo-8-[(1-hydroxy-1-oxobutan-2-yl)thio]-1-naphthalenecarboxylic acid IUPAC Name: 5-bromo-8-(1-hydroxy-1-oxobutan-2-yl)sulfanylnaphthalene-1-carboxylic acid Traditional Name: 5-bromo-8-(1-carboxypropylthio)-1-naphthoic acid Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrO4S/c1-2-11(15(19)20)21-12-7-6-10(16)8-4-3-5-9(13(8)12)14(17)18/h3-7,11H,2H2,1H3,(H,17,18)(H,19,20)