methyl 2-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate

Systemtic Name: methyl 2-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[3-(1-quinolin-1-iumylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-6-myristyloxy-benzoic acid methyl ester Formula: C38H49NO7P+ MolecularWeight: 662.771921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C38H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-16-28-44-35-25-18-26-36(37(35)38(40)43-2)46-47(41,42)45-33-23-17-20-31(29-33)30-39-27-19-22-32-21-14-15-24-34(32)39/h14-15,17-27,29H,3-13,16,28,30H2,1-2H3/p+1