5-azanyl-4-oxidanyl-8-(phenylsulfonyloxysulfonyl)naphthalene-2-sulfonic acid

Systemtic Name: 5-azanyl-4-oxidanyl-8-(phenylsulfonyloxysulfonyl)naphthalene-2-sulfonic acid Openeye Name: 5-amino-8-(benzenesulfonyloxysulfonyl)-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-amino-8-(benzenesulfonyloxysulfonyl)-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-amino-8-(benzenesulfonyloxysulfonyl)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-amino-8-besyloxysulfonyl-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H13NO9S3 MolecularWeight: 459.47072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=C3C=C(C=C(C3=C(C=C2)N)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=C3C=C(C=C(C3=C(C=C2)N)O)S(=O)(=O)O

InChI

InChI=1S/C16H13NO9S3/c17-13-6-7-15(12-8-11(27(19,20)21)9-14(18)16(12)13)29(24,25)26-28(22,23)10-4-2-1-3-5-10/h1-9,18H,17H2,(H,19,20,21)