7-[(4-azanyl-3-sulfo-phenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[(4-azanyl-3-sulfo-phenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-(4-amino-3-sulfo-anilino)-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-(4-amino-3-sulfoanilino)-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-(4-amino-3-sulfoanilino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-(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=CC2=C(C=C(C=C2C=C1NC3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O)O

InChI

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