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

Systemtic Name: hexasodium 8-[[4-propan-2-yl-3-[[2-propan-2-yl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: hexasodium 8-[[4-isopropyl-3-[[2-isopropyl-5-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate CAS Name: hexasodium 8-[[oxo-[3-[[oxo-[5-[oxo-[(4,6,8-trisulfonato-1-naphthalenyl)amino]methyl]-2-propan-2-ylanilino]methyl]amino]-4-propan-2-ylphenyl]methyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: hexasodium 8-[[4-propan-2-yl-3-[[2-propan-2-yl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Traditional Name: hexasodium 8-[[4-isopropyl-3-[[2-isopropyl-5-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Formula: C41H32N4Na6O21S6 MolecularWeight: 1247.0356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C)C1=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)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C41H38N4O21S6.6Na/c1-19(2)25-7-5-21(39(46)42-29-9-11-33(69(55,56)57)27-15-23(67(49,50)51)17-35(37(27)29)71(61,62)63)13-31(25)44-41(48)45-32-14-22(6-8-26(32)20(3)4)40(47)43-30-10-12-34(70(58,59)60)28-16-24(68(52,53)54)18-36(38(28)30)72(64,65)66;;;;;;/h5-20H,1-4H3,(H,42,46)(H,43,47)(H2,44,45,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;;;/q;6*+1/p-6