2-oxidanyldec-4-ynyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanyldec-4-ynyl 4-methylbenzenesulfonate Openeye Name: 2-hydroxydec-4-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-hydroxydec-4-ynyl ester IUPAC Name: 2-hydroxydec-4-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-hydroxydec-4-ynyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(COS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCC#CCC(COS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C17H24O4S/c1-3-4-5-6-7-8-9-16(18)14-21-22(19,20)17-12-10-15(2)11-13-17/h10-13,16,18H,3-6,9,14H2,1-2H3