2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[G]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-BENZO[G]INDOLIUM 4-METHYLBENZENESULFONATE

CAS No.
309967-80-4
CCD No.
CCD00541172
Formula
C40 H40 Cl N2 . C7 H7 O3 S
MolWeight
755.418

Basic Information

Product Name: 2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[G]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-BENZO[G]INDOLIUM 4-METHYLBENZENESULFONATE
CAS: 309967-80-4
English Synonyms: 3H-BENZ[G]INDOLIUM, 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-BENZ[G]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1) ; 2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[G]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-BENZO[G]INDOLIUM 4-METHYLBENZENESULFONATE
MDL Number.: MFCD06409868
H bond acceptor: 2
H bond donor: 0
Smile: Cc1ccc(cc1)S(=O)(=O)[O-].CC1(c2ccc3ccccc3c2[N+](=C1/C=C/C4=C(/C(=C/C=C/5\C(c6ccc7ccccc7c6N5C)(C)C)/CCC4)Cl)C)C
InChi: InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)32-22-18-26-12-7-9-16-30(26)37(32)42(5)34(39)24-20-28-14-11-15-29(36(28)41)21-25-35-40(3,4)33-23-19-27-13-8-10-17-31(27)38(33)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChiKey: InChIKey=RLNNNRUBFZNUNK-UHFFFAOYSA-M

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