5-CHLORO-3-(4-SULFOBUTYL)-2-(2-[(5-CHLORO-3-(4-SULFOBUTYL)-2-BENZOXAZOLINYLIDENE)-2-METHYL-1-PROPENYL]BENZOXAZOLIUM HYDROXIDE, INNER SALT

CAS No.
CCD No.
CCD00071176
Formula
C26 H28 Cl2 N2 O8 S2 . C6 H15 N
MolWeight
732.743

Basic Information

Product Name: 5-CHLORO-3-(4-SULFOBUTYL)-2-(2-[(5-CHLORO-3-(4-SULFOBUTYL)-2-BENZOXAZOLINYLIDENE)-2-METHYL-1-PROPENYL]BENZOXAZOLIUM HYDROXIDE, INNER SALT
English Synonyms: 5-CHLORO-3-(4-SULFOBUTYL)-2-(2-[(5-CHLORO-3-(4-SULFOBUTYL)-2-BENZOXAZOLINYLIDENE)-2-METHYL-1-PROPENYL]BENZOXAZOLIUM HYDROXIDE, INNER SALT
MDL Number.: MFCD00143451
H bond acceptor: 10
H bond donor: 1
Smile: CCN(CC)CC.C/C(=C\c1[n+](c2cc(ccc2o1)Cl)CCCCS(=O)(=O)[O-])/C=C/3\N(c4cc(ccc4O3)Cl)CCCCS(=O)(=O)O
InChi: InChI=1S/C26H28Cl2N2O8S2.C6H15N/c1-18(14-25-29(10-2-4-12-39(31,32)33)21-16-19(27)6-8-23(21)37-25)15-26-30(11-3-5-13-40(34,35)36)22-17-20(28)7-9-24(22)38-26;1-4-7(5-2)6-3/h6-9,14-17H,2-5,10-13H2,1H3,(H-,31,32,33,34,35,36);4-6H2,1-3H3
InChiKey: InChIKey=JSOXOTCXPZDMJQ-UHFFFAOYSA-N

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