4-azanyl-5-oxidanyl-3-(phenylcarbonyl)naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-5-oxidanyl-3-(phenylcarbonyl)naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-3-benzoyl-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-amino-3-benzoyl-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-3-benzoyl-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-3-benzoyl-5-hydroxy-naphthalene-2,7-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=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)N

InChI

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