2-[(2Z)-2-[6-[[4-chloranyl-6-[3-[[4-chloranyl-6-[[3-(methylcarbamoyl)phenyl]amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]propylamino]-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]-5-methoxy-benzene-1,4-disulfonic acid

Systemtic Name: 2-[(2Z)-2-[6-[[4-chloranyl-6-[3-[[4-chloranyl-6-[[3-(methylcarbamoyl)phenyl]amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]propylamino]-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]-5-methoxy-benzene-1,4-disulfonic acid Openeye Name: 2-[(2Z)-2-[6-[[4-chloro-6-[3-[[4-chloro-6-[3-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]propylamino]-1,3,5-triazin-2-yl]amino]-1-oxo-3-(trioxidanylsulfanyl)-2-naphthylidene]hydrazino]-5-methoxy-benzene-1,4-disulfonic acid CAS Name: 2-[(2Z)-2-[6-[[4-chloro-6-[3-[[4-chloro-6-[3-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]propylamino]-1,3,5-triazin-2-yl]amino]-1-oxo-3-(trioxidanylthio)-2-naphthalenylidene]hydrazinyl]-5-methoxybenzene-1,4-disulfonic acid IUPAC Name: 2-[(2Z)-2-[6-[[4-chloro-6-[3-[[4-chloro-6-[3-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]propylamino]-1,3,5-triazin-2-yl]amino]-1-oxo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]-5-methoxybenzene-1,4-disulfonic acid Traditional Name: 2-[(N'Z)-N'-[6-[[4-chloro-6-[3-[[4-chloro-6-[3-(methylcarbamoyl)anilino]-s-triazin-2-yl]-(2-hydroxyethyl)amino]propylamino]-s-triazin-2-yl]amino]-1-keto-3-(trioxidanylthio)-2-naphthylidene]hydrazino]-5-methoxy-benzene-1,4-disulfonic acid Formula: C36H35Cl2N13O13S3 MolecularWeight: 1024.8434

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)N(CCCNC3=NC(=NC(=N3)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC(=C(C=C6S(=O)(=O)O)OC)S(=O)(=O)O)C(=C5)SOOO)Cl)CCO

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)N(CCCNC3=NC(=NC(=N3)NC4=CC5=C(C=C4)C(=O)/C(=N/NC6=CC(=C(C=C6S(=O)(=O)O)OC)S(=O)(=O)O)/C(=C5)SOOO)Cl)CCO

InChI

InChI=1S/C36H35Cl2N13O13S3/c1-39-30(54)18-5-3-6-20(13-18)41-35-45-32(38)46-36(48-35)51(11-12-52)10-4-9-40-33-43-31(37)44-34(47-33)42-21-7-8-22-19(14-21)15-25(65-64-63-55)28(29(22)53)50-49-23-16-27(67(59,60)61)24(62-2)17-26(23)66(56,57)58/h3,5-8,13-17,49,52,55H,4,9-12H2,1-2H3,(H,39,54)(H,56,57,58)(H,59,60,61)(H,41,45,46,48)(H2,40,42,43,44,47)/b50-28+