TIMTEC-BB SBB059372

CAS No.
CCD No.
CCD08240846
Formula
C46 H50 Cl N2 O6 S2 . Na
MolWeight
849.484

Basic Information

Product Name: TIMTEC-BB SBB059372
English Synonyms: TIMTEC-BB SBB059372
MDL Number.: MFCD11225148
H bond acceptor: 8
H bond donor: 0
Smile: CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C4=C(/C(=C/C=C/5\C(c6c7ccccc7ccc6N5CCCCS(=O)(=O)[O-])(C)C)/CCC4)Cl)CCCCS(=O)(=O)[O-])C.[Na+]
InChi: InChI=1S/C46H51ClN2O6S2.Na/c1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;/h5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);/q;+1/p-1
InChiKey: InChIKey=RANIQVAJHXBIAY-UHFFFAOYSA-M

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