4-[(1R,5S)-3-oxidanylidene-8-oxabicyclo[3.2.1]oct-6-en-6-yl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[(1R,5S)-3-oxidanylidene-8-oxabicyclo[3.2.1]oct-6-en-6-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[(1R,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-6-yl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[(1R,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-6-yl]butyl ester IUPAC Name: 4-[(1R,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-6-yl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[(1R,5S)-3-keto-8-oxabicyclo[3.2.1]oct-6-en-6-yl]butyl ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC3CC(=O)CC2O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=C[C@H]3CC(=O)C[C@@H]2O3

InChI

InChI=1S/C18H22O5S/c1-13-5-7-17(8-6-13)24(20,21)22-9-3-2-4-14-10-16-11-15(19)12-18(14)23-16/h5-8,10,16,18H,2-4,9,11-12H2,1H3/t16-,18-/m0/s1