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

Systemtic Name: 5-(4-methylsulfinylphenyl)-2-propan-2-yl-pent-4-ynoic acid Openeye Name: 2-isopropyl-5-(4-methylsulfinylphenyl)pent-4-ynoic acid CAS Name: 5-(4-methylsulfinylphenyl)-2-propan-2-yl-4-pentynoic acid IUPAC Name: 5-(4-methylsulfinylphenyl)-2-propan-2-ylpent-4-ynoic acid Traditional Name: 2-isopropyl-5-(4-methylsulfinylphenyl)pent-4-ynoic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3S/c1-11(2)14(15(16)17)6-4-5-12-7-9-13(10-8-12)19(3)18/h7-11,14H,6H2,1-3H3,(H,16,17)