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disodium (3Z)-5-(acetylamino)-3-[2-(4-{[3-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)…

CAS: 63059-47-2 - disodium (3Z)-5-(acetylamino)-3-[2-(4-{[3-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)-4-hydroxynaphthalen-1-yl]oxy}phenyl)hydrazinylidene]-4-oxo-3,4-dihydronaphthalene-2,7-disulfonate

Formula:C49H52N4Na2O12S2

InChI:InChI=1S/C49H54N4O12S2.2Na/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;;/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);;

InChI key:InChIKey=TWXNMBJSUPUKTM-UHFFFAOYSA-N

SMILES:[Na].O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(OC3=CC=C(N=NC4=C(O)C5=C(C=C(C=C5NC(=O)C)S(=O)(=O)O)C=C4S(=O)(=O)O)C=C3)C=6C=CC=CC6C2O

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