sodium 7-[[7-[(4-chloranyl-3-sulfonato-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate

Systemtic Name: sodium 7-[[7-[(4-chloranyl-3-sulfonato-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate Openeye Name: sodium 7-[[7-[(4-chloro-3-sulfonato-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonate CAS Name: sodium 7-[[[[7-[(4-chloro-3-sulfonatophenyl)sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: sodium 7-[[7-[(4-chloro-3-sulfonatophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate Traditional Name: sodium 7-[[7-[(4-chloro-3-sulfonato-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonate Formula: C27H18ClN3NaO9S3- MolecularWeight: 683.08429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)[O-])NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)[O-])NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H20ClN3O9S3.Na/c28-25-10-7-22(15-26(25)43(38,39)40)31-41(33,34)23-8-3-16-1-5-20(11-18(16)13-23)29-27(32)30-21-6-2-17-4-9-24(42(35,36)37)14-19(17)12-21;/h1-15,31H,(H2,29,30,32)(H,35,36,37)(H,38,39,40);/q;+1/p-2