[6-nitro-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-nitro-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-nitro-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-nitro-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [6-nitro-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-nitro-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C=CC2=C1OC(CO2)COS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C1=C(C=CC2=C1OC(CO2)COS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO7S/c1-3-4-16-17(20(21)22)9-10-18-19(16)27-14(11-25-18)12-26-28(23,24)15-7-5-13(2)6-8-15/h3-10,14H,11-12H2,1-2H3/b4-3+