prop-2-enyl 1,1-dioctyl-3-oxa-1-azoniaspiro[3.5]nona-6,8-diene-7-carboxylate

Systemtic Name: prop-2-enyl 1,1-dioctyl-3-oxa-1-azoniaspiro[3.5]nona-6,8-diene-7-carboxylate Openeye Name: allyl 1,1-dioctyl-3-oxa-1-azoniaspiro[3.5]nona-6,8-diene-7-carboxylate CAS Name: 1,1-dioctyl-3-oxa-1-azoniaspiro[3.5]nona-6,8-diene-7-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 1,1-dioctyl-3-oxa-1-azoniaspiro[3.5]nona-6,8-diene-7-carboxylate Traditional Name: 1,1-dioctyl-3-oxa-1-azoniaspiro[3.5]nona-6,8-diene-7-carboxylic acid allyl ester Formula: C27H46NO3+ MolecularWeight: 432.65904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(COC12CC=C(C=C2)C(=O)OCC=C)CCCCCCCC

Isomeric SMILES

CCCCCCCC[N+]1(COC12CC=C(C=C2)C(=O)OCC=C)CCCCCCCC

InChI

InChI=1S/C27H46NO3/c1-4-7-9-11-13-15-21-28(22-16-14-12-10-8-5-2)24-31-27(28)19-17-25(18-20-27)26(29)30-23-6-3/h6,17-19H,3-5,7-16,20-24H2,1-2H3/q+1