hexasodium 8-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3,6,7-trisulfonatonaphthalen-1-yl)diazenyl]phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-2,3,6-trisulfonate

Systemtic Name: hexasodium 8-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3,6,7-trisulfonatonaphthalen-1-yl)diazenyl]phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-2,3,6-trisulfonate Openeye Name: hexasodium 8-[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3,6,7-trisulfonato-1-naphthyl)azo]phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-2,3,6-trisulfonate CAS Name: hexasodium 8-[5-methoxy-4-[[[2-methoxy-5-methyl-4-[(3,6,7-trisulfonato-1-naphthalenyl)azo]anilino]-oxomethyl]amino]-2-methylphenyl]azonaphthalene-2,3,6-trisulfonate IUPAC Name: hexasodium 8-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3,6,7-trisulfonatonaphthalen-1-yl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-2,3,6-trisulfonate Traditional Name: hexasodium 8-[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3,6,7-trisulfonato-1-naphthyl)azo]phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-2,3,6-trisulfonate Formula: C37H26N6Na6O21S6 MolecularWeight: 1220.95856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C=C(C(=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=C6C=C(C(=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C=C(C(=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=C6C=C(C(=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C37H32N6O21S6.6Na/c1-17-5-29(31(63-3)15-25(17)40-42-27-11-21(65(45,46)47)7-19-9-33(67(51,52)53)35(13-23(19)27)69(57,58)59)38-37(44)39-30-6-18(2)26(16-32(30)64-4)41-43-28-12-22(66(48,49)50)8-20-10-34(68(54,55)56)36(14-24(20)28)70(60,61)62;;;;;;/h5-16H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6