[(3S,3aR,7aR)-4,4,7a-trimethyl-2-oxidanylidene-3a,5-dihydro-3H-1-benzofuran-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,3aR,7aR)-4,4,7a-trimethyl-2-oxidanylidene-3a,5-dihydro-3H-1-benzofuran-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5-dihydro-3H-benzofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5-dihydro-3H-benzofuran-3-yl] ester IUPAC Name: [(3S,3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5-dihydro-3H-1-benzofuran-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,3aR,7aR)-2-keto-4,4,7a-trimethyl-3a,5-dihydro-3H-benzofuran-3-yl] ester Formula: C18H22O5S MolecularWeight: 350.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(CC=CC3(OC2=O)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@@H]3[C@@](C=CCC3(C)C)(OC2=O)C

InChI

InChI=1S/C18H22O5S/c1-12-6-8-13(9-7-12)24(20,21)23-14-15-17(2,3)10-5-11-18(15,4)22-16(14)19/h5-9,11,14-15H,10H2,1-4H3/t14-,15-,18+/m0/s1