2-(4-methoxyphenyl)sulfonyl-2-prop-2-ynyl-pent-4-ynoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-prop-2-ynyl-pent-4-ynoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-prop-2-ynyl-pent-4-ynoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-prop-2-ynyl-4-pentynoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-prop-2-ynylpent-4-ynoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-propargyl-pent-4-ynoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CC#C)(CC#C)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CC#C)(CC#C)C(=O)O

InChI

InChI=1S/C15H14O5S/c1-4-10-15(11-5-2,14(16)17)21(18,19)13-8-6-12(20-3)7-9-13/h1-2,6-9H,10-11H2,3H3,(H,16,17)