methyl 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]sulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]sulfonyl-3-nitro-benzoate Openeye Name: methyl 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]sulfonyl-3-nitro-benzoate CAS Name: 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]sulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]sulfonyl-3-nitrobenzoate Traditional Name: 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]sulfonyl-3-nitro-benzoic acid methyl ester Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO8S/c1-4-5-12-6-8-15(16(10-12)25-2)27-28(23,24)17-9-7-13(18(20)26-3)11-14(17)19(21)22/h4-11H,1-3H3/b5-4+