spiro[5.5]undecan-9-yl 4-methylbenzenesulfonate

Systemtic Name: spiro[5.5]undecan-9-yl 4-methylbenzenesulfonate Openeye Name: spiro[5.5]undecan-9-yl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 9-spiro[5.5]undecanyl ester IUPAC Name: spiro[5.5]undecan-9-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid spiro[5.5]undecan-9-yl ester Formula: C18H26O3S MolecularWeight: 322.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(CCCCC3)CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(CCCCC3)CC2

InChI

InChI=1S/C18H26O3S/c1-15-5-7-17(8-6-15)22(19,20)21-16-9-13-18(14-10-16)11-3-2-4-12-18/h5-8,16H,2-4,9-14H2,1H3