8-methylsulfonyl-12-oxidanyl-heptadec-5-ynoic acid

Systemtic Name: 8-methylsulfonyl-12-oxidanyl-heptadec-5-ynoic acid Openeye Name: 12-hydroxy-8-methylsulfonyl-heptadec-5-ynoic acid CAS Name: 12-hydroxy-8-methylsulfonyl-5-heptadecynoic acid IUPAC Name: 12-hydroxy-8-methylsulfonylheptadec-5-ynoic acid Traditional Name: 12-hydroxy-8-mesyl-heptadec-5-ynoic acid Formula: C18H32O5S MolecularWeight: 360.50868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CC#CCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CC#CCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C18H32O5S/c1-3-4-7-11-16(19)12-10-14-17(24(2,22)23)13-8-5-6-9-15-18(20)21/h16-17,19H,3-4,6-7,9-15H2,1-2H3,(H,20,21)