2-methoxysulfonyl-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-methoxysulfonyl-5-phenyl-pent-4-ynoic acid Openeye Name: 2-methoxysulfonyl-5-phenyl-pent-4-ynoic acid CAS Name: 2-methoxysulfonyl-5-phenyl-4-pentynoic acid IUPAC Name: 2-methoxysulfonyl-5-phenylpent-4-ynoic acid Traditional Name: 2-methoxysulfonyl-5-phenyl-pent-4-ynoic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5S/c1-17-18(15,16)11(12(13)14)9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,9H2,1H3,(H,13,14)