5-methylheptyl 4-(oxan-2-yloxymethyl)benzenesulfonate

Systemtic Name: 5-methylheptyl 4-(oxan-2-yloxymethyl)benzenesulfonate Openeye Name: 5-methylheptyl 4-(tetrahydropyran-2-yloxymethyl)benzenesulfonate CAS Name: 4-(2-oxanyloxymethyl)benzenesulfonic acid 5-methylheptyl ester IUPAC Name: 5-methylheptyl 4-(oxan-2-yloxymethyl)benzenesulfonate Traditional Name: 4-(tetrahydropyran-2-yloxymethyl)benzenesulfonic acid 5-methylheptyl ester Formula: C20H32O5S MolecularWeight: 384.53008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O5S/c1-3-17(2)8-4-7-15-25-26(21,22)19-12-10-18(11-13-19)16-24-20-9-5-6-14-23-20/h10-13,17,20H,3-9,14-16H2,1-2H3