5-[(8-methyl-7-oxidanyl-naphthalen-1-yl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(8-methyl-7-oxidanyl-naphthalen-1-yl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(7-hydroxy-8-methyl-1-naphthyl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(7-hydroxy-8-methyl-1-naphthalenyl)thio]dioxyamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(7-hydroxy-8-methylnaphthalen-1-yl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(7-hydroxy-8-methyl-1-naphthyl)thio]peroxyamino]isophthalic acid Formula: C19H15NO7S MolecularWeight: 401.3899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=CC=C2)SOONC3=CC(=CC(=C3)C(=O)O)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=CC=C2)SOONC3=CC(=CC(=C3)C(=O)O)C(=O)O)O

InChI

InChI=1S/C19H15NO7S/c1-10-15(21)6-5-11-3-2-4-16(17(10)11)28-27-26-20-14-8-12(18(22)23)7-13(9-14)19(24)25/h2-9,20-21H,1H3,(H,22,23)(H,24,25)