methyl 2-hexadecoxy-6-[oxidanyl-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate

Systemtic Name: methyl 2-hexadecoxy-6-[oxidanyl-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate Openeye Name: methyl 2-hexadecoxy-6-[hydroxy-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 2-hexadecoxy-6-[hydroxy-[4-(1-quinolin-1-iumylmethyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 2-hexadecoxy-6-[hydroxy-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 2-cetyloxy-6-[hydroxy-[4-(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=C(C(=CC=C1)OP(=O)(O)OC2=CC=C(C=C2)C[N+]3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

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

InChI

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