8-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylnaphthalene-1-carboxylic acid

Systemtic Name: 8-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylnaphthalene-1-carboxylic acid Openeye Name: 8-(1-carboxypropylsulfanyl)naphthalene-1-carboxylic acid CAS Name: 8-[(1-hydroxy-1-oxobutan-2-yl)thio]-1-naphthalenecarboxylic acid IUPAC Name: 8-(1-hydroxy-1-oxobutan-2-yl)sulfanylnaphthalene-1-carboxylic acid Traditional Name: 8-(1-carboxypropylthio)-1-naphthoic acid Formula: C15H14O4S MolecularWeight: 290.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC2=C1C(=CC=C2)C(=O)O

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC2=C1C(=CC=C2)C(=O)O

InChI

InChI=1S/C15H14O4S/c1-2-11(15(18)19)20-12-8-4-6-9-5-3-7-10(13(9)12)14(16)17/h3-8,11H,2H2,1H3,(H,16,17)(H,18,19)