2-[(2E)-2-[8-[[4-[[4-(2-acetyloxyethylsulfonyl)phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(2E)-2-[8-[[4-[[4-(2-acetyloxyethylsulfonyl)phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(2E)-2-[8-[[4-[4-(2-acetoxyethylsulfonyl)anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-oxo-6-sulfo-3-(trioxidanylsulfanyl)-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid CAS Name: 2-[(2E)-2-[8-[[4-[4-(2-acetyloxyethylsulfonyl)anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-oxo-6-sulfo-3-(trioxidanylthio)-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(2E)-2-[8-[[4-[4-(2-acetyloxyethylsulfonyl)anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-oxo-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(N'E)-N'-[8-[[4-[4-(2-acetoxyethylsulfonyl)anilino]-6-chloro-s-triazin-2-yl]amino]-1-keto-6-sulfo-3-(trioxidanylthio)-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid Formula: C33H26ClN7O17S5 MolecularWeight: 988.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=NNC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)O)S(=O)(=O)O)C4=O)SOOO

Isomeric SMILES

CC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(/C(=N/NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)O)S(=O)(=O)O)/C4=O)SOOO

InChI

InChI=1S/C33H26ClN7O17S5/c1-16(42)56-11-12-60(45,46)19-7-5-18(6-8-19)35-32-37-31(34)38-33(39-32)36-24-15-20(61(47,48)49)13-17-14-25(59-58-57-44)28(29(43)27(17)24)41-40-23-10-9-21-22(30(23)63(53,54)55)3-2-4-26(21)62(50,51)52/h2-10,13-15,40,44H,11-12H2,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,35,36,37,38,39)/b41-28-