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

Systemtic Name: methyl 2-[oxidanyl-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[3-(3-thiazol-3-iumylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphoryl]oxy-6-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphoryl]oxy-6-myristyloxy-benzoic acid methyl ester Formula: C32H45NO7PS+ MolecularWeight: 618.740961

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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=CSC=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)OC

InChI

InChI=1S/C32H44NO7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-38-29-19-16-20-30(31(29)32(34)37-2)40-41(35,36)39-28-18-15-17-27(24-28)25-33-21-23-42-26-33/h15-21,23-24,26H,3-14,22,25H2,1-2H3/p+1