ethyl 12-[7-(11-ethoxy-11-oxidanylidene-undecyl)-2,3,10-trimethyl-6,11-bis(oxidanylidene)-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]dodecanoate

Systemtic Name: ethyl 12-[7-(11-ethoxy-11-oxidanylidene-undecyl)-2,3,10-trimethyl-6,11-bis(oxidanylidene)-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]dodecanoate Openeye Name: ethyl 12-[7-(11-ethoxy-11-oxo-undecyl)-2,3,10-trimethyl-6,11-dioxo-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]dodecanoate CAS Name: 12-[7-(11-ethoxy-11-oxoundecyl)-2,3,10-trimethyl-6,11-dioxo-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]dodecanoic acid ethyl ester IUPAC Name: ethyl 12-[7-(11-ethoxy-11-oxoundecyl)-2,3,10-trimethyl-6,11-dioxo-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]dodecanoate Traditional Name: 12-[7-(11-ethoxy-11-keto-undecyl)-6,11-diketo-2,3,10-trimethyl-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]lauric acid ethyl ester Formula: C38H71N2O8+ MolecularWeight: 683.97894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCCCC[N+]1(CCN(C(=O)COC(C(OCC1=O)C)C)C)CCCCCCCCCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCCCCCCCC[N+]1(CCN(C(=O)COC(C(OCC1=O)C)C)C)CCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C38H71N2O8/c1-6-45-37(43)25-21-17-13-9-8-11-15-19-23-28-40(29-24-20-16-12-10-14-18-22-26-38(44)46-7-2)30-27-39(5)35(41)31-47-33(3)34(4)48-32-36(40)42/h33-34H,6-32H2,1-5H3/q+1