trisodium 8-[[3,5-bis[(7-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate

Systemtic Name: trisodium 8-[[3,5-bis[(7-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate Openeye Name: trisodium 8-[[3,5-bis[(7-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate CAS Name: trisodium 8-[[[3,5-bis[oxo-[(7-sulfonato-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: trisodium 8-[[3,5-bis[(7-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Traditional Name: trisodium 8-[[3,5-bis[(7-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Formula: C39H24N3Na3O12S3 MolecularWeight: 891.78507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC=CC5=C4C=C(C=C5)S(=O)(=O)[O-])C(=O)NC6=CC=CC7=C6C=C(C=C7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC=CC5=C4C=C(C=C5)S(=O)(=O)[O-])C(=O)NC6=CC=CC7=C6C=C(C=C7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C39H27N3O12S3.3Na/c43-37(40-34-7-1-4-22-10-13-28(19-31(22)34)55(46,47)48)25-16-26(38(44)41-35-8-2-5-23-11-14-29(20-32(23)35)56(49,50)51)18-27(17-25)39(45)42-36-9-3-6-24-12-15-30(21-33(24)36)57(52,53)54;;;/h1-21H,(H,40,43)(H,41,44)(H,42,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3