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CHEBI:94016 - 4-[[[3-[[[3,5-bis[(3,4-disulfoanilino)-oxomethyl]anilino]-oxomethyl]amino]-5-[(3,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,2-disulfonic acid

Default Structure
ChEBI IDCHEBI:94016
ChEBI Name4-[[[3-[[[3,5-bis[(3,4-disulfoanilino)-oxomethyl]anilino]-oxomethyl]amino]-5-[(3,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,2-disulfonic acid
Stars
DownloadsMolfile
FormulaC41H32N6O29S8
Net Charge0
Average Mass1329.256
Monoisotopic Mass1327.89794
SMILESO=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)c1
InChIInChI=1S/C41H32N6O29S8/c48-37(42-23-1-5-29(77(53,54)55)33(15-23)81(65,66)67)19-9-20(38(49)43-24-2-6-30(78(56,57)58)34(16-24)82(68,69)70)12-27(11-19)46-41(52)47-28-13-21(39(50)44-25-3-7-31(79(59,60)61)35(17-25)83(71,72)73)10-22(14-28)40(51)45-26-4-8-32(80(62,63)64)36(18-26)84(74,75)76/h1-18H,(H,42,48)(H,43,49)(H,44,50)(H,45,51)(H2,46,47,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)
InChIKeyCPISLWFLHGUZHF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[3-[[[3,5-bis[(3,4-disulfoanilino)-oxomethyl]anilino]-oxomethyl]amino]-5-[(3,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,2-disulfonic acid (CHEBI:94016) is a benzamides (CHEBI:22702)
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