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

Systemtic Name: 4-[(4-azanyl-2-chloranyl-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-amino-2-chloro-benzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[(4-amino-2-chlorophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-amino-2-chlorobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(4-amino-2-chloro-benzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H13ClN2O8S2 MolecularWeight: 472.87672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Cl)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)Cl)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C17H13ClN2O8S2/c18-13-5-9(19)1-2-12(13)17(22)20-14-6-10(29(23,24)25)3-8-4-11(30(26,27)28)7-15(21)16(8)14/h1-7,21H,19H2,(H,20,22)(H,23,24,25)(H,26,27,28)