4-azanyl-5-oxidanyl-3-(phenylcarbonyl)naphthalene-1,7-disulfonic acid

Systemtic Name: 4-azanyl-5-oxidanyl-3-(phenylcarbonyl)naphthalene-1,7-disulfonic acid Openeye Name: 4-amino-3-benzoyl-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-amino-3-benzoyl-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-amino-3-benzoyl-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-amino-3-benzoyl-5-hydroxy-naphthalene-1,7-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=C(C3=C(C=C(C=C3C(=C2)S(=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(=C2)S(=O)(=O)O)S(=O)(=O)O)O)N

InChI

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