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

Systemtic Name: 7-[(4-azanyl-2-sulfo-phenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-(4-amino-2-sulfo-anilino)-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-(4-amino-2-sulfoanilino)-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-(4-amino-2-sulfoanilino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-(4-amino-2-sulfo-anilino)-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H14N2O7S2 MolecularWeight: 410.42156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

InChI

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