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Substance Name: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide, compd. with strychnidin-10-one (1:1)
RN: 101686-74-2
InChIKey: LMKAZWXZKFRFAH-RROROBGOSA-N

Molecular Weight

  • 1032.44
 
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Names and Synonyms

  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide, compd. with strychnidin-10-one (1:1)

Registry Numbers

CAS Registry Number

  • 101686-74-2

System Generated Number

  • 0101686742

Structure Descriptors

InChI

1S/C21H14Br4O5S.C21H22N2O2/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h3-8,26-27H,1-2H3;1-5,13,16-17,19-20H,6-11H2/t;13-,16-,17-,19-,20-,21?/m.0/s1

InChIKey

LMKAZWXZKFRFAH-RROROBGOSA-N

Smiles

S1(OC(c2c(c(c(c(c2)Br)O)Br)C)(c2c(c(c(c(c2)Br)O)Br)C)c2c1cccc2)(=O)=O.O1[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@]6(c7c(N([C@@H]36)C(C2)=O)cccc7)CC[N@@]5CC4=CC1