3-but-3-ynylsulfonyl-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 3-but-3-ynylsulfonyl-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 3-but-3-ynylsulfonyl-5-chloro-2-methoxy-benzoic acid CAS Name: 3-but-3-ynylsulfonyl-5-chloro-2-methoxybenzoic acid IUPAC Name: 3-but-3-ynylsulfonyl-5-chloro-2-methoxybenzoic acid Traditional Name: 3-but-3-ynylsulfonyl-5-chloro-2-methoxy-benzoic acid Formula: C12H11ClO5S MolecularWeight: 302.73074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CCC#C

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CCC#C

InChI

InChI=1S/C12H11ClO5S/c1-3-4-5-19(16,17)10-7-8(13)6-9(12(14)15)11(10)18-2/h1,6-7H,4-5H2,2H3,(H,14,15)