2-[(2Z)-2-[6-[[4-[1-[[4-[[(6Z)-6-[(2,5-disulfophenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(2Z)-2-[6-[[4-[1-[[4-[[(6Z)-6-[(2,5-disulfophenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(2Z)-2-[6-[[4-[[2-[[4-[[(6Z)-6-[(2,5-disulfophenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-methyl-ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid CAS Name: 2-[(2Z)-2-[6-[[4-[1-[[4-[[(6Z)-6-[(2,5-disulfophenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(2Z)-2-[6-[[4-[1-[[4-[[(6Z)-6-[(2,5-disulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(N'Z)-N'-[6-[[4-[[2-[[4-[[(6Z)-6-[(2,5-disulfophenyl)hydrazono]-5-keto-7-sulfo-2-naphthyl]amino]-6-fluoro-s-triazin-2-yl]amino]-1-methyl-ethyl]amino]-6-fluoro-s-triazin-2-yl]amino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid Formula: C45H34F2N14O20S6 MolecularWeight: 1321.220066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C(C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O)F)NC5=NC(=NC(=N5)NC6=CC7=C(C=C6)C(=O)C(=NNC8=C(C9=C(C=C8)C(=CC=C9)S(=O)(=O)O)S(=O)(=O)O)C(=C7)S(=O)(=O)O)F

Isomeric SMILES

CC(CNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C(C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)/C(=C3)S(=O)(=O)O)F)NC5=NC(=NC(=N5)NC6=CC7=C(C=C6)C(=O)/C(=N/NC8=C(C9=C(C=C8)C(=CC=C9)S(=O)(=O)O)S(=O)(=O)O)/C(=C7)S(=O)(=O)O)F

InChI

InChI=1S/C45H34F2N14O20S6/c1-19(18-48-42-52-40(46)54-44(56-42)50-22-5-8-26-20(13-22)16-34(86(76,77)78)36(38(26)63)61-59-30-17-24(82(64,65)66)7-12-32(30)84(70,71)72)49-43-53-41(47)55-45(57-43)51-23-6-9-25-21(14-23)15-33(85(73,74)75)35(37(25)62)60-58-29-11-10-27-28(39(29)87(79,80)81)3-2-4-31(27)83(67,68)69/h2-17,19,58-59H,18H2,1H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H2,48,50,52,54,56)(H2,49,51,53,55,57)/b60-35+,61-36+