4-[(4-azanyl-3-sulfo-phenyl)amino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[(4-azanyl-3-sulfo-phenyl)amino]naphthalene-1-sulfonic acid Openeye Name: 4-(4-amino-3-sulfo-anilino)naphthalene-1-sulfonic acid CAS Name: 4-(4-amino-3-sulfoanilino)-1-naphthalenesulfonic acid IUPAC Name: 4-(4-amino-3-sulfoanilino)naphthalene-1-sulfonic acid Traditional Name: 4-(4-amino-3-sulfo-anilino)naphthalene-1-sulfonic acid Formula: C16H14N2O6S2 MolecularWeight: 394.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC3=CC(=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC3=CC(=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O6S2/c17-13-6-5-10(9-16(13)26(22,23)24)18-14-7-8-15(25(19,20)21)12-4-2-1-3-11(12)14/h1-9,18H,17H2,(H,19,20,21)(H,22,23,24)