8-methoxy-3-phenethyl-6-prop-2-enyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid

Systemtic Name: 8-methoxy-3-phenethyl-6-prop-2-enyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid Openeye Name: 6-allyl-8-methoxy-3-phenethyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid CAS Name: 8-methoxy-3-phenethyl-6-prop-2-enyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid IUPAC Name: 8-methoxy-3-phenethyl-6-prop-2-enyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid Traditional Name: 6-allyl-8-methoxy-3-phenethyl-2,4-dihydro-1,3-benzoxazine; tosylic acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C2C(=CC(=C1)CC=C)CN(CO2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C2C(=CC(=C1)CC=C)CN(CO2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO2.C7H8O3S/c1-3-7-17-12-18-14-21(11-10-16-8-5-4-6-9-16)15-23-20(18)19(13-17)22-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8-9,12-13H,1,7,10-11,14-15H2,2H3;2-5H,1H3,(H,8,9,10)