4-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(4-amino-2-sulfo-benzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(4-amino-2-sulfobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[(4-amino-2-sulfo-benzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C17H14N2O11S3 MolecularWeight: 518.49486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C17H14N2O11S3/c18-8-1-2-10(15(5-8)33(28,29)30)17(21)19-12-3-4-14(32(25,26)27)11-6-9(31(22,23)24)7-13(20)16(11)12/h1-7,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)