[[4-chloranyl-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-[[4-fluoranyl-6-[[5-[(2Z)-2-[[2-[2-methanoyl-5-(trioxidanylsulfanyl)phenyl]hydrazinyl]-phenyl-methylidene]hydrazinyl]-6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene]amino]-1,3,5-triazin-2-yl]amino]boron

Systemtic Name: [[4-chloranyl-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-[[4-fluoranyl-6-[[5-[(2Z)-2-[[2-[2-methanoyl-5-(trioxidanylsulfanyl)phenyl]hydrazinyl]-phenyl-methylidene]hydrazinyl]-6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene]amino]-1,3,5-triazin-2-yl]amino]boron Openeye Name: [[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-[[4-fluoro-6-[[5-[(2Z)-2-[[2-[2-formyl-5-(trioxidanylsulfanyl)phenyl]hydrazino]-phenyl-methylene]hydrazino]-6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene]amino]-1,3,5-triazin-2-yl]amino]boron CAS Name: [[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-[[4-fluoro-6-[[5-[(2Z)-2-[[[2-formyl-5-(trioxidanylthio)phenyl]hydrazo]-phenylmethylidene]hydrazinyl]-6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene]amino]-1,3,5-triazin-2-yl]amino]boron IUPAC Name: [[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-[[4-fluoro-6-[[5-[(2Z)-2-[[2-[2-formyl-5-(trioxidanylsulfanyl)phenyl]hydrazinyl]-phenylmethylidene]hydrazinyl]-6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene]amino]-1,3,5-triazin-2-yl]amino]boron Traditional Name: [[4-chloro-6-[4-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]-[[4-fluoro-6-[[5-[(N'Z)-N'-[[N'-[2-formyl-5-(trioxidanylthio)phenyl]hydrazino]-phenyl-methylene]hydrazino]-6-keto-3-sulfo-cyclohexa-2,4-dien-1-ylidene]amino]-s-triazin-2-yl]amino]boron Formula: C34H28BClFN14O14S4 MolecularWeight: 1050.193923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B](NC1=NC(=NC(=N1)Cl)NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)NC3=NC(=NC(=N3)N=C4C=C(C=C(C4=O)NN=C(C5=CC=CC=C5)NNC6=C(C=CC(=C6)SOOO)C=O)S(=O)(=O)O)F

Isomeric SMILES

[B](NC1=NC(=NC(=N1)Cl)NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)NC3=NC(=NC(=N3)N=C4C=C(C=C(C4=O)N/N=C(/C5=CC=CC=C5)\NNC6=C(C=CC(=C6)SOOO)C=O)S(=O)(=O)O)F

InChI

InChI=1S/C34H28BClFN14O14S4/c36-29-40-31(38-20-7-10-22(11-8-20)67(55,56)13-12-63-69(60,61)62)44-33(41-29)46-35-47-34-43-30(37)42-32(45-34)39-25-15-23(68(57,58)59)16-26(27(25)53)49-51-28(18-4-2-1-3-5-18)50-48-24-14-21(66-65-64-54)9-6-19(24)17-52/h1-11,14-17,48-49,54H,12-13H2,(H,50,51)(H,57,58,59)(H,60,61,62)(H,42,43,45,47)(H2,38,40,41,44,46)