3-(4-hept-1-ynylphenyl)sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-(4-hept-1-ynylphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-(4-hept-1-ynylphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-(4-hept-1-ynylphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-(4-hept-1-ynylphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-(4-hept-1-ynylphenyl)sulfonyl-2-methyl-propionic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4S/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)22(20,21)13-14(2)17(18)19/h9-12,14H,3-6,13H2,1-2H3,(H,18,19)