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

Systemtic Name: 2-[[4-[[4-[(E)-2-[4-[[4-[(2,5-disulfophenyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid Openeye Name: 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid CAS Name: 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid IUPAC Name: 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid Traditional Name: 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]-6-(ethylamino)-s-triazin-2-yl]amino]benzene-1,4-disulfonic acid Formula: C36H36N12O18S6 MolecularWeight: 1117.13064

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCC)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCC)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C36H36N12O18S6/c1-3-37-31-43-33(47-35(45-31)41-25-17-23(67(49,50)51)11-13-27(25)69(55,56)57)39-21-9-7-19(29(15-21)71(61,62)63)5-6-20-8-10-22(16-30(20)72(64,65)66)40-34-44-32(38-4-2)46-36(48-34)42-26-18-24(68(52,53)54)12-14-28(26)70(58,59)60/h5-18H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b6-5+