5-PHENYL-2-(2-[(5-PHENYL-3-(3-SULFOBUTYL)-2(3H)-BENZOXAZOLINYLIDENE) METHYL]-1-BUTENYL)-3-(3-SULFOBUTYL BENZOXAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT

CAS No.
CCD No.
CCD00071199
Formula
C39 H39 N2 O8 S2 . C6 H16 N
MolWeight
830.075

Basic Information

Product Name: 5-PHENYL-2-(2-[(5-PHENYL-3-(3-SULFOBUTYL)-2(3H)-BENZOXAZOLINYLIDENE) METHYL]-1-BUTENYL)-3-(3-SULFOBUTYL BENZOXAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT
English Synonyms: 5-PHENYL-2-(2-[(5-PHENYL-3-(3-SULFOBUTYL)-2(3H)-BENZOXAZOLINYLIDENE) METHYL]-1-BUTENYL)-3-(3-SULFOBUTYL BENZOXAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT
MDL Number.: MFCD00143480
H bond acceptor: 10
H bond donor: 0
Smile: CC/C(=C\c1[n+](c2cc(ccc2o1)c3ccccc3)CCC(C)S(=O)(=O)[O-])/C=C/4\N(c5cc(ccc5O4)c6ccccc6)CCC(C)S(=O)(=O)[O-].CC[NH+](CC)CC
InChi: InChI=1S/C39H40N2O8S2.C6H15N/c1-4-29(23-38-40(21-19-27(2)50(42,43)44)34-25-32(15-17-36(34)48-38)30-11-7-5-8-12-30)24-39-41(22-20-28(3)51(45,46)47)35-26-33(16-18-37(35)49-39)31-13-9-6-10-14-31;1-4-7(5-2)6-3/h5-18,23-28H,4,19-22H2,1-3H3,(H-,42,43,44,45,46,47);4-6H2,1-3H3
InChiKey: InChIKey=GXIUEFZNWPRYJW-UHFFFAOYSA-N

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