[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)OC

InChI

InChI=1S/C17H17NO6S/c1-4-5-13-7-9-15(16(10-13)23-3)24-25(21,22)17-11-14(18(19)20)8-6-12(17)2/h4-11H,1-3H3/b5-4+