4-[(3-aminophenyl)methylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(3-aminophenyl)methylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(3-aminophenyl)methylamino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(3-aminophenyl)methylamino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(3-aminophenyl)methylamino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(3-aminobenzyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H16N2O7S2 MolecularWeight: 424.44814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CNC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)CNC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C17H16N2O7S2/c18-12-3-1-2-10(4-12)9-19-15-7-13(27(21,22)23)5-11-6-14(28(24,25)26)8-16(20)17(11)15/h1-8,19-20H,9,18H2,(H,21,22,23)(H,24,25,26)