spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethyl 4-methylbenzenesulfonate Openeye Name: spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4a-spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]ylmethyl ester IUPAC Name: spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethyl ester Formula: C20H26O5S MolecularWeight: 378.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC=C2CC4(CC3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC=C2CC4(CC3)OCCO4

InChI

InChI=1S/C20H26O5S/c1-16-5-7-18(8-6-16)26(21,22)25-15-19-9-3-2-4-17(19)14-20(11-10-19)23-12-13-24-20/h4-8H,2-3,9-15H2,1H3