[4-[8-chloranyl-6,7-bis(oxidanyl)-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl] methanesulfonate

Systemtic Name: [4-[8-chloranyl-6,7-bis(oxidanyl)-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl] methanesulfonate Openeye Name: [4-(2-allyl-8-chloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-4-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(8-chloro-6,7-dihydroxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl] ester IUPAC Name: [4-(8-chloro-6,7-dihydroxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2-allyl-8-chloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-4-yl)phenyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C2CN(CC3=C(C(=C(C=C23)O)O)Cl)CC=C

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C2CN(CC3=C(C(=C(C=C23)O)O)Cl)CC=C

InChI

InChI=1S/C19H20ClNO5S/c1-3-8-21-10-15(12-4-6-13(7-5-12)26-27(2,24)25)14-9-17(22)19(23)18(20)16(14)11-21/h3-7,9,15,22-23H,1,8,10-11H2,2H3