2-[2-[2-CHLORO-3-[2-(3-ETHYL-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3-ETHYL-1,1-DIMETHYL-1H-BENZ[E]INDOLIUM 4-METHYLBENZENESULFONATE

CAS No.
460337-33-1
CCD No.
CCD03027511
Formula
C42 H46 Cl N2 . C7 H7 O3 S
MolWeight
785.488

Basic Information

Product Name: 2-[2-[2-CHLORO-3-[2-(3-ETHYL-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3-ETHYL-1,1-DIMETHYL-1H-BENZ[E]INDOLIUM 4-METHYLBENZENESULFONATE
CAS: 460337-33-1
English Synonyms: 2-[2-[2-CHLORO-3-[2-(3-ETHYL-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3-ETHYL-1,1-DIMETHYL-1H-BENZ[E]INDOLIUM 4-METHYLBENZENESULFONATE
MDL Number.: MFCD16620509
H bond acceptor: 2
H bond donor: 0
Smile: CCN1c2ccc3ccccc3c2[CH+](C1/C=C/C4=C(/C(=C/C=C\5/C(c6c7ccccc7ccc6N5CC)(C)C)/CCC4)Cl)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
InChi: InChI=1S/C42H46ClN2.C7H8O3S/c1-7-44-34-24-20-28-14-9-11-18-32(28)38(34)41(3,4)36(44)26-22-30-16-13-17-31(40(30)43)23-27-37-42(5,6)39-33-19-12-10-15-29(33)21-25-35(39)45(37)8-2;1-6-2-4-7(5-3-6)11(8,9)10/h9-12,14-15,18-27,36,41H,7-8,13,16-17H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b26-22+,31-23+,37-27-;
InChiKey: InChIKey=NMOOBJYGFKOMAL-LLXULHGYSA-M

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