4-azanyl-7-methoxycarbonyl-2-methyl-3-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-7-methoxycarbonyl-2-methyl-3-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-hydroxy-7-methoxycarbonyl-2-methyl-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-hydroxy-7-methoxycarbonyl-2-methyl-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-hydroxy-7-methoxycarbonyl-2-methylnaphthalene-1-sulfonic acid Traditional Name: 4-amino-7-carbomethoxy-3-hydroxy-2-methyl-naphthalene-1-sulfonic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)C(=O)OC)C(=C1O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)C(=O)OC)C(=C1O)N)S(=O)(=O)O

InChI

InChI=1S/C13H13NO6S/c1-6-11(15)10(14)8-4-3-7(13(16)20-2)5-9(8)12(6)21(17,18)19/h3-5,15H,14H2,1-2H3,(H,17,18,19)