4-OXO-5-(3-(3-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLIDENE)-2-THIOXO-3-THIAZOLIDINE ACETIC ACID TRIETHYLAMINE SALT

pro_cas
99749-49-2
pro_cdbregno
CCD00071105
pro_formula
C16 H16 N2 O6 S4 . 2 C6 H15 N
pro_molWeight
662.957

basic_info

Product_Name: 4-OXO-5-(3-(3-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLIDENE)-2-THIOXO-3-THIAZOLIDINE ACETIC ACID TRIETHYLAMINE SALT
CAS: 99749-49-2
EnglishSynonyms: 4-OXO-5-(3-(3-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLIDENE)-2-THIOXO-3-THIAZOLIDINE ACETIC ACID TRIETHYLAMINE SALT
pro_mdlNumber: MFCD00143365
pro_acceptors: 8
pro_donors: 2
pro_smile: CCN(CC)CC.CCN(CC)CC.CC(CCN\1c2ccccc2S/C1=C\3/C(=O)N(C(=S)S3)CC(=O)O)S(=O)(=O)O
InChi: InChI=1S/C16H16N2O6S4.2C6H15N/c1-9(28(22,23)24)6-7-17-10-4-2-3-5-11(10)26-15(17)13-14(21)18(8-12(19)20)16(25)27-13;2*1-4-7(5-2)6-3/h2-5,9H,6-8H2,1H3,(H,19,20)(H,22,23,24);2*4-6H2,1-3H3/b15-13-;;
InChiKey: InChIKey=NECXDAMXKTVJHJ-FQGJLALVSA-N

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