6-methyloctyl 4-(oxan-2-yloxymethyl)benzenesulfonate

Systemtic Name: 6-methyloctyl 4-(oxan-2-yloxymethyl)benzenesulfonate Openeye Name: 6-methyloctyl 4-(tetrahydropyran-2-yloxymethyl)benzenesulfonate CAS Name: 4-(2-oxanyloxymethyl)benzenesulfonic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 4-(oxan-2-yloxymethyl)benzenesulfonate Traditional Name: 4-(tetrahydropyran-2-yloxymethyl)benzenesulfonic acid 6-methyloctyl ester Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOS(=O)(=O)C1=CC=C(C=C1)COC2CCCCO2

Isomeric SMILES

CCC(C)CCCCCOS(=O)(=O)C1=CC=C(C=C1)COC2CCCCO2

InChI

InChI=1S/C21H34O5S/c1-3-18(2)9-5-4-7-16-26-27(22,23)20-13-11-19(12-14-20)17-25-21-10-6-8-15-24-21/h11-14,18,21H,3-10,15-17H2,1-2H3