2-(6-chloranyl-2-methyl-3,4-dihydrochromen-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(6-chloranyl-2-methyl-3,4-dihydrochromen-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(6-chloro-2-methyl-chroman-2-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(6-chloro-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethyl ester IUPAC Name: 2-(6-chloro-2-methyl-3,4-dihydrochromen-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6-chloro-2-methyl-chroman-2-yl)ethyl ester Formula: C19H21ClO4S MolecularWeight: 380.88564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCC3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCC3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C19H21ClO4S/c1-14-3-6-17(7-4-14)25(21,22)23-12-11-19(2)10-9-15-13-16(20)5-8-18(15)24-19/h3-8,13H,9-12H2,1-2H3