2-[[3-[4-[(E)-2-[2-azanyl-4-[6-[(2,5-disulfophenyl)amino]-4-formamido-2H-1,3,5-triazin-1-yl]-6-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]-6-formamido-2H-1,3,5-triazin-4-yl]amino]benzene-1,4-disulfonic acid

Systemtic Name: 2-[[3-[4-[(E)-2-[2-azanyl-4-[6-[(2,5-disulfophenyl)amino]-4-formamido-2H-1,3,5-triazin-1-yl]-6-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]-6-formamido-2H-1,3,5-triazin-4-yl]amino]benzene-1,4-disulfonic acid Openeye Name: 2-[[3-[4-[(E)-2-[2-amino-4-[6-(2,5-disulfoanilino)-4-formamido-2H-1,3,5-triazin-1-yl]-6-sulfo-phenyl]vinyl]-3-sulfo-phenyl]-6-formamido-2H-1,3,5-triazin-4-yl]amino]benzene-1,4-disulfonic acid CAS Name: 2-[[3-[4-[(E)-2-[2-amino-4-[6-(2,5-disulfoanilino)-4-formamido-2H-1,3,5-triazin-1-yl]-6-sulfophenyl]ethenyl]-3-sulfophenyl]-6-formamido-2H-1,3,5-triazin-4-yl]amino]benzene-1,4-disulfonic acid IUPAC Name: 2-[[3-[4-[(E)-2-[2-amino-4-[6-(2,5-disulfoanilino)-4-formamido-2H-1,3,5-triazin-1-yl]-6-sulfophenyl]ethenyl]-3-sulfophenyl]-6-formamido-2H-1,3,5-triazin-4-yl]amino]benzene-1,4-disulfonic acid Traditional Name: 2-[[3-[4-[(E)-2-[2-amino-4-[6-(2,5-disulfoanilino)-4-formamido-2H-s-triazin-1-yl]-6-sulfo-phenyl]vinyl]-3-sulfo-phenyl]-6-formamido-2H-s-triazin-4-yl]amino]benzene-1,4-disulfonic acid Formula: C34H31N11O20S6 MolecularWeight: 1106.06164

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3S(=O)(=O)O)N4CN=C(N=C4NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)NC=O)N)S(=O)(=O)O)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)NC=O

Isomeric SMILES

C1N=C(N=C(N1C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3S(=O)(=O)O)N4CN=C(N=C4NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)NC=O)N)S(=O)(=O)O)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)NC=O

InChI

InChI=1S/C34H31N11O20S6/c35-24-9-20(45-15-37-32(39-17-47)43-34(45)41-26-13-22(67(51,52)53)5-8-28(26)69(57,58)59)11-30(71(63,64)65)23(24)6-2-18-1-3-19(10-29(18)70(60,61)62)44-14-36-31(38-16-46)42-33(44)40-25-12-21(66(48,49)50)4-7-27(25)68(54,55)56/h1-13,16-17H,14-15,35H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,36,38,40,42,46)(H2,37,39,41,43,47)/b6-2+