3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,4-dihydro-2H-benzo[h][1]benzopyran-2-ylmethyl ester IUPAC Name: 3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl ester Formula: C21H20O4S MolecularWeight: 368.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20O4S/c1-15-6-12-19(13-7-15)26(22,23)24-14-18-11-10-17-9-8-16-4-2-3-5-20(16)21(17)25-18/h2-9,12-13,18H,10-11,14H2,1H3