tetrasodium 2-[[4-[2-[[4-[[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloranyl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate

Systemtic Name: tetrasodium 2-[[4-[2-[[4-[[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloranyl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate Openeye Name: tetrasodium 2-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate CAS Name: tetrasodium 2-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate IUPAC Name: tetrasodium 2-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate Traditional Name: tetrasodium 2-[[4-[2-[[4-[3-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-chloro-s-triazin-2-yl]amino]ethylamino]-6-chloro-s-triazin-2-yl]amino]benzene-1,4-disulfonate Formula: C37H28Cl2N12Na4O14S4 MolecularWeight: 1155.8153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)Cl)NCCNC3=NC(=NC(=N3)NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC5=CC(=C(C6=C5C(=O)C7=CC=CC=C7C6=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)Cl)NCCNC3=NC(=NC(=N3)NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC5=CC(=C(C6=C5C(=O)C7=CC=CC=C7C6=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C37H32Cl2N12O14S4.4Na/c1-14-27(43-21-13-23(68(60,61)62)26(40)25-24(21)29(52)18-6-4-5-7-19(18)30(25)53)15(2)31(69(63,64)65)16(3)28(14)45-37-49-33(39)47-35(51-37)42-11-10-41-34-46-32(38)48-36(50-34)44-20-12-17(66(54,55)56)8-9-22(20)67(57,58)59;;;;/h4-9,12-13,43H,10-11,40H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,41,44,46,48,50)(H2,42,45,47,49,51);;;;/q;4*+1/p-4