2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; benzene-1,3-diol

Systemtic Name: 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; benzene-1,3-diol Openeye Name: 2-(4-aminoanilino)-5-nitro-benzenesulfonic acid; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; benzene-1,3-diol CAS Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; benzene-1,3-diol IUPAC Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; benzene-1,3-diol Traditional Name: 2-(4-aminoanilino)-5-nitro-besylic acid; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; resorcinol Formula: C28H26N4O14S3 MolecularWeight: 738.71944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O

InChI

InChI=1S/C12H11N3O5S.C10H9NO7S2.C6H6O2/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;7-5-2-1-3-6(8)4-5/h1-7,14H,13H2,(H,18,19,20);1-4,12H,11H2,(H,13,14,15)(H,16,17,18);1-4,7-8H