methyl 5-hexadecoxy-2-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate

Systemtic Name: methyl 5-hexadecoxy-2-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate Openeye Name: methyl 5-hexadecoxy-2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 5-hexadecoxy-2-[hydroxy-[3-(1-quinolin-1-iumylmethyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 5-hexadecoxy-2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 5-cetyloxy-2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoic acid methyl ester Formula: C40H53NO7P+ MolecularWeight: 690.825081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C40H52NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-46-35-26-27-39(37(31-35)40(42)45-2)48-49(43,44)47-36-24-19-21-33(30-36)32-41-28-20-23-34-22-16-17-25-38(34)41/h16-17,19-28,30-31H,3-15,18,29,32H2,1-2H3/p+1