3,3-DIMETHYL-2-[3-(3,3-DIMETHYL-1-(4-SULFOBUTYL)-2-INDOLINYLIDENE)-1-PROPENYL]-1-(4-SULFOBUTYL)-3H-INDOLIUM HYDROXIDE, INNER SALT

CAS No.
CCD No.
CCD00070820
Formula
C31 H40 N2 O6 S2 . C6 H15 N
MolWeight
701.989

Basic Information

Product Name: 3,3-DIMETHYL-2-[3-(3,3-DIMETHYL-1-(4-SULFOBUTYL)-2-INDOLINYLIDENE)-1-PROPENYL]-1-(4-SULFOBUTYL)-3H-INDOLIUM HYDROXIDE, INNER SALT
English Synonyms: 3,3-DIMETHYL-2-[3-(3,3-DIMETHYL-1-(4-SULFOBUTYL)-2-INDOLINYLIDENE)-1-PROPENYL]-1-(4-SULFOBUTYL)-3H-INDOLIUM HYDROXIDE, INNER SALT
MDL Number.: MFCD00143034
H bond acceptor: 8
H bond donor: 1
Smile: CCN(CC)CC.CC1(c2ccccc2[N+](=C1/C=C/C=C/3\C(c4ccccc4N3CCCCS(=O)(=O)O)(C)C)CCCCS(=O)(=O)[O-])C
InChi: InChI=1S/C31H40N2O6S2.C6H15N/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39;1-4-7(5-2)6-3/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39);4-6H2,1-3H3
InChiKey: InChIKey=SWZRWNOPIAYGAZ-UHFFFAOYSA-N

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