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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1C(OC2=C(O1)C=CC(=C2)[N+](=O)[O-])COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C/C=C/C1C(OC2=C(O1)C=CC(=C2)[N+](=O)[O-])COS(=O)(=O)C3=CC=C(C=C3)C

InChI

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