2-[7-(1,3-DIHYDRO-1,3,3-TRIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIENYL]-1,3,3-TRIMETHYL-5-SULFO-3H-INDOLIUM INNER SALT SODIUM SALT MONOHYDRATE

CAS No.
135408-43-4
CCD No.
CCD00541146
Formula
C29 H31 N2 O6 S2 . Na . H2 O
MolWeight
608.709

Basic Information

Product Name: 2-[7-(1,3-DIHYDRO-1,3,3-TRIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIENYL]-1,3,3-TRIMETHYL-5-SULFO-3H-INDOLIUM INNER SALT SODIUM SALT MONOHYDRATE
CAS: 135408-43-4
English Synonyms: 2-[7-(1,3-DIHYDRO-1,3,3-TRIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIENYL]-1,3,3-TRIMETHYL-5-SULFO-3H-INDOLIUM INNER SALT SODIUM SALT MONOHYDRATE ; SODIUM 1,3,3-TRIMETHYL-2-[(1E,3E,5E)-7-(1,3,3-TRIMETHYL-5-SULFONATO-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIENYL]-3H-INDOLIUM-5-SULFONATE HYDRATE ; 3H-INDOLIUM, 2-[7-(1,3-DIHYDRO-1,3,3-TRIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIENYL]-1,3,3-TRIMETHYL-5-SULFO-, INNER SALT, SODIUM SALT, MONOHYDRATE
MDL Number.: MFCD06409812
H bond acceptor: 8
H bond donor: 0
Smile: CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/C=C/3\C(c4cc(ccc4N3C)S(=O)(=O)[O-])(C)C)C)S(=O)(=O)[O-])C.O.[Na+]
InChi: InChI=1S/C29H32N2O6S2.Na.H2O/c1-28(2)22-18-20(38(32,33)34)14-16-24(22)30(5)26(28)12-10-8-7-9-11-13-27-29(3,4)23-19-21(39(35,36)37)15-17-25(23)31(27)6;;/h7-19H,1-6H3,(H-,32,33,34,35,36,37);;1H2/q;+1;/p-1
InChiKey: InChIKey=QTBXQBZTDGWASR-UHFFFAOYSA-M

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