methyl 2-[[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate

Systemtic Name: methyl 2-[[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenoxy]phosphoryl]oxy-6-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]phosphoryl]oxy-6-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphoryl]oxy-6-myristyloxy-benzoic acid methyl ester Formula: C33H47NO7PS+ MolecularWeight: 632.767541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46NO7PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-30-20-17-21-31(32(30)33(35)38-3)41-42(36,37)40-29-19-16-18-28(23-29)25-34-24-27(2)43-26-34/h16-21,23-24,26H,4-15,22,25H2,1-3H3/p+1