hexasodium 8-[[4-methyl-3-[[3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]phenyl]carbonylamino]phenyl]carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate

Systemtic Name: hexasodium 8-[[4-methyl-3-[[3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]phenyl]carbonylamino]phenyl]carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: hexasodium 8-[[4-methyl-3-[[3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]benzoyl]amino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate CAS Name: hexasodium 8-[[[4-methyl-3-[[[3-[[[3-[[3-[[2-methyl-5-[oxo-[(4,6,8-trisulfonato-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]anilino]-oxomethyl]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: hexasodium 8-[[4-methyl-3-[[3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]benzoyl]amino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Traditional Name: hexasodium 8-[[4-methyl-3-[[3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]benzoyl]amino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Formula: C58H38N6Na6O24S6 MolecularWeight: 1533.27674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)NC7=C(C=CC(=C7)C(=O)NC8=C9C(=CC(=CC9=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)NC7=C(C=CC(=C7)C(=O)NC8=C9C(=CC(=CC9=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C58H44N6O24S6.6Na/c1-29-12-14-35(57(69)61-43-16-18-47(91(77,78)79)41-25-39(89(71,72)73)27-49(51(41)43)93(83,84)85)23-45(29)63-55(67)33-8-4-10-37(21-33)59-53(65)31-6-3-7-32(20-31)54(66)60-38-11-5-9-34(22-38)56(68)64-46-24-36(15-13-30(46)2)58(70)62-44-17-19-48(92(80,81)82)42-26-40(90(74,75)76)28-50(52(42)44)94(86,87)88;;;;;;/h3-28H,1-2H3,(H,59,65)(H,60,66)(H,61,69)(H,62,70)(H,63,67)(H,64,68)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88);;;;;;/q;6*+1/p-6