3-(BUT-2-YNE-1-SULFONYL)-4,5-DIMETHYLBENZOIC ACID

CAS No.
CCD No.
CCD03333222
Formula
C13 H14 O4 S
MolWeight
266.316

Basic Information

Product Name: 3-(BUT-2-YNE-1-SULFONYL)-4,5-DIMETHYLBENZOIC ACID
English Synonyms: 3-(BUT-2-YNE-1-SULFONYL)-4,5-DIMETHYLBENZOIC ACID
MDL Number.: MFCD17054655
H bond acceptor: 4
H bond donor: 1
Smile: CC#CCS(=O)(=O)c1cc(cc(c1C)C)C(=O)O
InChi: InChI=1S/C13H14O4S/c1-4-5-6-18(16,17)12-8-11(13(14)15)7-9(2)10(12)3/h7-8H,6H2,1-3H3,(H,14,15)
InChiKey: InChIKey=XDEMLECOVKWPJL-UHFFFAOYSA-N

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