BENZOTHIAZOLIUM, 2-[[5,5-DIMETHYL-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]METHYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)

CAS No.
147427-70-1
CCD No.
CCD00541142
Formula
C30 H34 N2 O6 S4 . C6 H15 N
MolWeight
748.062

Basic Information

Product Name: BENZOTHIAZOLIUM, 2-[[5,5-DIMETHYL-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]METHYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)
CAS: 147427-70-1
English Synonyms: BENZOTHIAZOLIUM, 2-[[5,5-DIMETHYL-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]METHYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)
MDL Number.: MFCD06409797
H bond acceptor: 8
H bond donor: 1
Smile: CCN(CC)CC.CC1(CC(=C/C(=C/c2[n+](c3ccccc3s2)CCCS(=O)(=O)[O-])/C1)/C=C\4/N(c5ccccc5S4)CCCS(=O)(=O)O)C
InChi: InChI=1S/C30H34N2O6S4.C6H15N/c1-30(2)20-22(18-28-31(13-7-15-41(33,34)35)24-9-3-5-11-26(24)39-28)17-23(21-30)19-29-32(14-8-16-42(36,37)38)25-10-4-6-12-27(25)40-29;1-4-7(5-2)6-3/h3-6,9-12,17-19H,7-8,13-16,20-21H2,1-2H3,(H-,33,34,35,36,37,38);4-6H2,1-3H3
InChiKey: InChIKey=MIZQCSHRKPVLCG-UHFFFAOYSA-N

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