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

Systemtic Name: 3-azanyl-4-oxidanyl-5-(phenylcarbonyl)naphthalene-2,7-disulfonic acid Openeye Name: 3-amino-5-benzoyl-4-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-amino-5-benzoyl-4-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-amino-5-benzoyl-4-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-amino-5-benzoyl-4-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H13NO8S2 MolecularWeight: 423.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=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(=CC(=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)7-10-6-11(27(21,22)23)8-12(14(10)17(15)20)16(19)9-4-2-1-3-5-9/h1-8,20H,18H2,(H,21,22,23)(H,24,25,26)