6-azanyl-5-oxidanyl-4-(phenylcarbonyl)naphthalene-1,7-disulfonic acid

Systemtic Name: 6-azanyl-5-oxidanyl-4-(phenylcarbonyl)naphthalene-1,7-disulfonic acid Openeye Name: 6-amino-4-benzoyl-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 6-amino-4-benzoyl-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 6-amino-4-benzoyl-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 6-amino-4-benzoyl-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C17H13NO8S2 MolecularWeight: 423.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO8S2/c18-15-13(28(24,25)26)8-11-12(27(21,22)23)7-6-10(14(11)17(15)20)16(19)9-4-2-1-3-5-9/h1-8,20H,18H2,(H,21,22,23)(H,24,25,26)