5-[(6-carboxy-8-methyl-7-oxidanyl-naphthalen-1-yl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(6-carboxy-8-methyl-7-oxidanyl-naphthalen-1-yl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-carboxy-7-hydroxy-8-methyl-1-naphthyl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(6-carboxy-7-hydroxy-8-methyl-1-naphthalenyl)thio]dioxyamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-carboxy-7-hydroxy-8-methylnaphthalen-1-yl)sulfanylperoxyamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(6-carboxy-7-hydroxy-8-methyl-1-naphthyl)thio]peroxyamino]isophthalic acid Formula: C20H15NO9S MolecularWeight: 445.3994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C(=O)O)C=CC=C2SOONC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)C(=O)O)C=CC=C2SOONC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H15NO9S/c1-9-16-10(8-14(17(9)22)20(27)28)3-2-4-15(16)31-30-29-21-13-6-11(18(23)24)5-12(7-13)19(25)26/h2-8,21-22H,1H3,(H,23,24)(H,25,26)(H,27,28)