dipotassium 7-[[4-[[4-[[4-[(4-formamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonate

Systemtic Name: dipotassium 7-[[4-[[4-[[4-[(4-formamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonate Openeye Name: dipotassium 7-[[4-[[4-[[4-[(4-formamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonate CAS Name: dipotassium 7-[[[4-[[[4-[[[4-[[(4-formamido-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3-disulfonate IUPAC Name: dipotassium 7-[[4-[[4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonate Traditional Name: dipotassium 7-[[4-[[4-[[4-[(4-formamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonate Formula: C35H31K2N9O11S2 MolecularWeight: 896.00094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C)C)NC=O.[K+].[K+]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C)C)NC=O.[K+].[K+]

InChI

InChI=1S/C35H33N9O11S2.2K/c1-41-14-21(36-18-45)9-27(41)33(47)38-23-11-29(43(3)16-23)35(49)40-24-12-30(44(4)17-24)34(48)39-22-10-28(42(2)15-22)32(46)37-20-6-5-19-7-25(56(50,51)52)13-31(26(19)8-20)57(53,54)55;;/h5-18H,1-4H3,(H,36,45)(H,37,46)(H,38,47)(H,39,48)(H,40,49)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2