3,7-dihydro-2H-inden-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 3,7-dihydro-2H-inden-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: 3,7-dihydro-2H-inden-1-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,7-dihydro-2H-inden-1-ylmethyl ester IUPAC Name: 3,7-dihydro-2H-inden-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,7-dihydro-2H-inden-1-ylmethyl ester Formula: C17H18O3S MolecularWeight: 302.38802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C3CC=CC=C3CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C3CC=CC=C3CC2

InChI

InChI=1S/C17H18O3S/c1-13-6-10-16(11-7-13)21(18,19)20-12-15-9-8-14-4-2-3-5-17(14)15/h2-4,6-7,10-11H,5,8-9,12H2,1H3