disodium 3-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-methoxy-phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 3-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-methoxy-phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 3-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[2-methoxy-4-(3-sulfonatophenyl)azo-anilino]-1,3,5-triazin-2-yl]amino]-3-methoxy-phenyl]azobenzenesulfonate CAS Name: disodium 3-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[2-methoxy-4-(3-sulfonatophenyl)azoanilino]-1,3,5-triazin-2-yl]amino]-3-methoxyphenyl]azobenzenesulfonate IUPAC Name: disodium 3-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-3-methoxyphenyl]diazenyl]benzenesulfonate Traditional Name: disodium 3-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[2-methoxy-4-(3-sulfonatophenyl)azo-anilino]-s-triazin-2-yl]amino]-3-methoxy-phenyl]azobesylate Formula: C33H32N10Na2O10S2 MolecularWeight: 838.77772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N(CCO)CCO)NC4=C(C=C(C=C4)N=NC5=CC(=CC=C5)S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N(CCO)CCO)NC4=C(C=C(C=C4)N=NC5=CC(=CC=C5)S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C33H34N10O10S2.2Na/c1-52-29-19-23(41-39-21-5-3-7-25(17-21)54(46,47)48)9-11-27(29)34-31-36-32(38-33(37-31)43(13-15-44)14-16-45)35-28-12-10-24(20-30(28)53-2)42-40-22-6-4-8-26(18-22)55(49,50)51;;/h3-12,17-20,44-45H,13-16H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,34,35,36,37,38);;/q;2*+1/p-2