methyl (E,6Z)-6-(3-methylbut-2-enylidene)-12-nitro-11-oxidanyl-dodec-2-enoate

Systemtic Name: methyl (E,6Z)-6-(3-methylbut-2-enylidene)-12-nitro-11-oxidanyl-dodec-2-enoate Openeye Name: methyl (E,6Z)-11-hydroxy-6-(3-methylbut-2-enylidene)-12-nitro-dodec-2-enoate CAS Name: (E,6Z)-11-hydroxy-6-(3-methylbut-2-enylidene)-12-nitro-2-dodecenoic acid methyl ester IUPAC Name: methyl (E,6Z)-11-hydroxy-6-(3-methylbut-2-enylidene)-12-nitrododec-2-enoate Traditional Name: (2E,6Z)-6-(5-hydroxy-6-nitro-hexyl)-9-methyl-deca-2,6,8-trienoic acid methyl ester Formula: C18H29NO5 MolecularWeight: 339.42656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(CCCCC(C[N+](=O)[O-])O)CCC=CC(=O)OC)C

Isomeric SMILES

CC(=C/C=C(/CCCCC(C[N+](=O)[O-])O)\CC/C=C/C(=O)OC)C

InChI

InChI=1S/C18H29NO5/c1-15(2)12-13-16(9-5-7-11-18(21)24-3)8-4-6-10-17(20)14-19(22)23/h7,11-13,17,20H,4-6,8-10,14H2,1-3H3/b11-7+,16-13-