6-[(4-azanyl-3-sulfo-phenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[(4-azanyl-3-sulfo-phenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-(4-amino-3-sulfo-anilino)-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-(4-amino-3-sulfoanilino)-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-(4-amino-3-sulfoanilino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-(4-amino-3-sulfo-anilino)-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H14N2O7S2 MolecularWeight: 410.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC3=CC(=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC3=CC(=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O7S2/c17-14-4-3-11(7-16(14)27(23,24)25)18-10-2-1-9-5-12(26(20,21)22)8-15(19)13(9)6-10/h1-8,18-19H,17H2,(H,20,21,22)(H,23,24,25)