(2,6,9-trimethyl-3,4,5,6-tetrahydro-1-benzoxocin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2,6,9-trimethyl-3,4,5,6-tetrahydro-1-benzoxocin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2,6,9-trimethyl-3,4,5,6-tetrahydro-1-benzoxocin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,6,9-trimethyl-3,4,5,6-tetrahydro-1-benzoxocin-2-yl)methyl ester IUPAC Name: (2,6,9-trimethyl-3,4,5,6-tetrahydro-1-benzoxocin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,6,9-trimethyl-3,4,5,6-tetrahydro-1-benzoxocin-2-yl)methyl ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(OC2=C1C=CC(=C2)C)(C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCC(OC2=C1C=CC(=C2)C)(C)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28O4S/c1-16-7-10-19(11-8-16)27(23,24)25-15-22(4)13-5-6-18(3)20-12-9-17(2)14-21(20)26-22/h7-12,14,18H,5-6,13,15H2,1-4H3