tetrasodium 3-[[7-[(4,8-disulfonatonaphthalen-2-yl)carbamoyl]naphthalen-2-yl]carbonylamino]naphthalene-1,5-disulfonate

Systemtic Name: tetrasodium 3-[[7-[(4,8-disulfonatonaphthalen-2-yl)carbamoyl]naphthalen-2-yl]carbonylamino]naphthalene-1,5-disulfonate Openeye Name: tetrasodium 3-[[7-[(4,8-disulfonato-2-naphthyl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-1,5-disulfonate CAS Name: tetrasodium 3-[[[7-[[(4,8-disulfonato-2-naphthalenyl)amino]-oxomethyl]-2-naphthalenyl]-oxomethyl]amino]naphthalene-1,5-disulfonate IUPAC Name: tetrasodium 3-[[7-[(4,8-disulfonatonaphthalen-2-yl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-1,5-disulfonate Traditional Name: tetrasodium 3-[[7-[(4,8-disulfonato-2-naphthyl)carbamoyl]-2-naphthoyl]amino]naphthalene-1,5-disulfonate Formula: C32H18N2Na4O14S4 MolecularWeight: 874.7094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])NC(=O)C3=CC4=C(C=C3)C=CC(=C4)C(=O)NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])NC(=O)C3=CC4=C(C=C3)C=CC(=C4)C(=O)NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H22N2O14S4.4Na/c35-31(33-21-13-25-23(29(15-21)51(43,44)45)3-1-5-27(25)49(37,38)39)18-9-7-17-8-10-19(12-20(17)11-18)32(36)34-22-14-26-24(30(16-22)52(46,47)48)4-2-6-28(26)50(40,41)42;;;;/h1-16H,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4