[(2R)-4-oxidanyl-3-oxa-7,11-dithiaspiro[5.5]undecan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R)-4-oxidanyl-3-oxa-7,11-dithiaspiro[5.5]undecan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R)-4-hydroxy-3-oxa-7,11-dithiaspiro[5.5]undecan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-4-hydroxy-3-oxa-7,11-dithiaspiro[5.5]undecan-2-yl]methyl ester IUPAC Name: [(2R)-4-hydroxy-3-oxa-7,11-dithiaspiro[5.5]undecan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-4-hydroxy-3-oxa-7,11-dithiaspiro[5.5]undecan-2-yl]methyl ester Formula: C16H22O5S3 MolecularWeight: 390.53788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3(CC(O2)O)SCCCS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CC3(CC(O2)O)SCCCS3

InChI

InChI=1S/C16H22O5S3/c1-12-3-5-14(6-4-12)24(18,19)20-11-13-9-16(10-15(17)21-13)22-7-2-8-23-16/h3-6,13,15,17H,2,7-11H2,1H3/t13-,15?/m1/s1