trisodium 8-[(3-azanyl-4-chloranyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 8-[(3-azanyl-4-chloranyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[(3-amino-4-chloro-benzoyl)amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[(3-amino-4-chlorophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[(3-amino-4-chlorobenzoyl)amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[(3-amino-4-chloro-benzoyl)amino]naphthalene-1,3,5-trisulfonate Formula: C17H10ClN2Na3O10S3 MolecularWeight: 602.88601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N)Cl.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N)Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H13ClN2O10S3.3Na/c18-11-2-1-8(5-12(11)19)17(21)20-13-3-4-14(32(25,26)27)10-6-9(31(22,23)24)7-15(16(10)13)33(28,29)30;;;/h1-7H,19H2,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3