7-methyl-5-oxidanyl-3-(sulfomethylamino)naphthalene-2-sulfonic acid

Systemtic Name: 7-methyl-5-oxidanyl-3-(sulfomethylamino)naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-7-methyl-3-(sulfomethylamino)naphthalene-2-sulfonic acid CAS Name: 5-hydroxy-7-methyl-3-(sulfomethylamino)-2-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-7-methyl-3-(sulfomethylamino)naphthalene-2-sulfonic acid Traditional Name: 5-hydroxy-7-methyl-3-(sulfomethylamino)naphthalene-2-sulfonic acid Formula: C12H13NO7S2 MolecularWeight: 347.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=CC2=C1)S(=O)(=O)O)NCS(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C2C=C(C(=CC2=C1)S(=O)(=O)O)NCS(=O)(=O)O)O

InChI

InChI=1S/C12H13NO7S2/c1-7-2-8-4-12(22(18,19)20)10(13-6-21(15,16)17)5-9(8)11(14)3-7/h2-5,13-14H,6H2,1H3,(H,15,16,17)(H,18,19,20)