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

Systemtic Name: tetrasodium 3-[[4-[(4,8-disulfonatonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,5-disulfonate Openeye Name: tetrasodium 3-[[4-[(4,8-disulfonato-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonate CAS Name: tetrasodium 3-[[[4-[[(4,8-disulfonato-2-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,5-disulfonate IUPAC Name: tetrasodium 3-[[4-[(4,8-disulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonate Traditional Name: tetrasodium 3-[[4-[(4,8-disulfonato-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonate Formula: C28H16N2Na4O14S4 MolecularWeight: 824.65072

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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=CC=C(C=C3)C(=O)NC4=CC(=C5C=CC=C(C5=C4)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=CC=C(C=C3)C(=O)NC4=CC(=C5C=CC=C(C5=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N2O14S4.4Na/c31-27(29-17-11-21-19(25(13-17)47(39,40)41)3-1-5-23(21)45(33,34)35)15-7-9-16(10-8-15)28(32)30-18-12-22-20(26(14-18)48(42,43)44)4-2-6-24(22)46(36,37)38;;;;/h1-14H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4