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

Systemtic Name: 4-azanyl-3-(2-chlorophenyl)carbonyl-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-3-(2-chlorobenzoyl)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-amino-3-[(2-chlorophenyl)-oxomethyl]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-3-(2-chlorobenzoyl)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-3-(2-chlorobenzoyl)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H12ClNO8S2 MolecularWeight: 457.86208

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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=C2S(=O)(=O)O)S(=O)(=O)O)O)N)Cl

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)Cl

InChI

InChI=1S/C17H12ClNO8S2/c18-11-4-2-1-3-10(11)17(21)15-13(29(25,26)27)6-8-5-9(28(22,23)24)7-12(20)14(8)16(15)19/h1-7,20H,19H2,(H,22,23,24)(H,25,26,27)