2-propan-2-yl-5-(4-propylsulfonylphenyl)pent-4-ynoic acid

Systemtic Name: 2-propan-2-yl-5-(4-propylsulfonylphenyl)pent-4-ynoic acid Openeye Name: 2-isopropyl-5-(4-propylsulfonylphenyl)pent-4-ynoic acid CAS Name: 2-propan-2-yl-5-(4-propylsulfonylphenyl)-4-pentynoic acid IUPAC Name: 2-propan-2-yl-5-(4-propylsulfonylphenyl)pent-4-ynoic acid Traditional Name: 2-isopropyl-5-(4-propylsulfonylphenyl)pent-4-ynoic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)C#CCC(C(C)C)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)C#CCC(C(C)C)C(=O)O

InChI

InChI=1S/C17H22O4S/c1-4-12-22(20,21)15-10-8-14(9-11-15)6-5-7-16(13(2)3)17(18)19/h8-11,13,16H,4,7,12H2,1-3H3,(H,18,19)