3-methyl-7-(methylamino)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 3-methyl-7-(methylamino)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-3-methyl-7-(methylamino)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-3-methyl-7-(methylamino)-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-methyl-7-(methylamino)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-3-methyl-7-(methylamino)naphthalene-2-sulfonic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=C1O)NC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=C1O)NC)S(=O)(=O)O

InChI

InChI=1S/C12H13NO4S/c1-7-11(18(15,16)17)6-8-5-9(13-2)3-4-10(8)12(7)14/h3-6,13-14H,1-2H3,(H,15,16,17)