(6E)-6-[[4,5-dimethoxy-2-[(2Z)-2-(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-2-[[4-fluoranyl-6-[phenyl-[2-(2-sulfooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-naphthalene-1,7-disulfonic acid

Systemtic Name: (6E)-6-[[4,5-dimethoxy-2-[(2Z)-2-(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-2-[[4-fluoranyl-6-[phenyl-[2-(2-sulfooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-naphthalene-1,7-disulfonic acid Openeye Name: (6E)-6-[[4,5-dimethoxy-2-[(2Z)-2-(6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]hydrazono]-2-[[4-fluoro-6-[N-[2-(2-sulfooxyethylsulfonyl)ethyl]anilino]-1,3,5-triazin-2-yl]amino]-5-oxo-naphthalene-1,7-disulfonic acid CAS Name: (6E)-6-[[4,5-dimethoxy-2-[(2Z)-2-(6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]hydrazinylidene]-2-[[4-fluoro-6-[N-[2-(2-sulfooxyethylsulfonyl)ethyl]anilino]-1,3,5-triazin-2-yl]amino]-5-oxonaphthalene-1,7-disulfonic acid IUPAC Name: (6E)-6-[[4,5-dimethoxy-2-[(2Z)-2-(6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-2-[[4-fluoro-6-[N-[2-(2-sulfooxyethylsulfonyl)ethyl]anilino]-1,3,5-triazin-2-yl]amino]-5-oxonaphthalene-1,7-disulfonic acid Traditional Name: (6E)-2-[[4-fluoro-6-[N-[2-(2-sulfoxyethylsulfonyl)ethyl]anilino]-s-triazin-2-yl]amino]-5-keto-6-[[2-[(N'Z)-N'-(6-keto-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-4,5-dimethoxy-phenyl]hydrazono]naphthalene-1,7-disulfonic acid Formula: C37H34FN9O19S5 MolecularWeight: 1088.038163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NN=C2C=C(C=CC2=O)S(=O)(=O)O)NN=C3C(=CC4=C(C3=O)C=CC(=C4S(=O)(=O)O)NC5=NC(=NC(=N5)F)N(CCS(=O)(=O)CCOS(=O)(=O)O)C6=CC=CC=C6)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)N/N=C\2/C=C(C=CC2=O)S(=O)(=O)O)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4S(=O)(=O)O)NC5=NC(=NC(=N5)F)N(CCS(=O)(=O)CCOS(=O)(=O)O)C6=CC=CC=C6)S(=O)(=O)O)OC

InChI

InChI=1S/C37H34FN9O19S5/c1-64-29-18-25(43-45-27-16-21(68(52,53)54)8-11-28(27)48)26(19-30(29)65-2)44-46-32-31(69(55,56)57)17-23-22(33(32)49)9-10-24(34(23)70(58,59)60)39-36-40-35(38)41-37(42-36)47(20-6-4-3-5-7-20)12-14-67(50,51)15-13-66-71(61,62)63/h3-11,16-19,43-44H,12-15H2,1-2H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,39,40,41,42)/b45-27-,46-32-