(3-tert-butyl-4-dodecoxy-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate

Systemtic Name: (3-tert-butyl-4-dodecoxy-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Openeye Name: (3-tert-butyl-4-dodecoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: (3-tert-butyl-4-dodecoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: (3-tert-butyl-4-dodecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Traditional Name: (3-tert-butyl-4-lauryloxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C33H48NO5PS MolecularWeight: 601.776681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C

InChI

InChI=1S/C33H48NO5PS/c1-6-7-8-9-10-11-12-13-14-15-21-37-32-20-19-30(23-31(32)33(3,4)5)39-40(35,36)38-29-18-16-17-28(22-29)25-34-24-27(2)41-26-34/h16-20,22-24,26H,6-15,21,25H2,1-5H3