4-methyl-3-prop-2-ynylsulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-prop-2-ynylsulfonyl-benzoic acid Openeye Name: 4-methyl-3-prop-2-ynylsulfonyl-benzoic acid CAS Name: 4-methyl-3-prop-2-ynylsulfonylbenzoic acid IUPAC Name: 4-methyl-3-prop-2-ynylsulfonylbenzoic acid Traditional Name: 4-methyl-3-propargylsulfonyl-benzoic acid Formula: C11H10O4S MolecularWeight: 238.2597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#C

InChI

InChI=1S/C11H10O4S/c1-3-6-16(14,15)10-7-9(11(12)13)5-4-8(10)2/h1,4-5,7H,6H2,2H3,(H,12,13)