4-methylbenzenesulfonate; 2-[4-(3-phenoxypropoxy)phenyl]ethyl-triphenyl-phosphanium

Systemtic Name: 4-methylbenzenesulfonate; 2-[4-(3-phenoxypropoxy)phenyl]ethyl-triphenyl-phosphanium Openeye Name: 4-methylbenzenesulfonate; 2-[4-(3-phenoxypropoxy)phenyl]ethyl-triphenyl-phosphonium CAS Name: 4-methylbenzenesulfonate; 2-[4-(3-phenoxypropoxy)phenyl]ethyl-triphenylphosphonium IUPAC Name: 4-methylbenzenesulfonate; 2-[4-(3-phenoxypropoxy)phenyl]ethyl-triphenylphosphanium Traditional Name: 2-[4-(3-phenoxypropoxy)phenyl]ethyl-triphenyl-phosphonium tosylate Formula: C42H41O5PS MolecularWeight: 688.810701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H34O2P.C7H8O3S/c1-5-14-31(15-6-1)36-27-13-28-37-32-24-22-30(23-25-32)26-29-38(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35;1-6-2-4-7(5-3-6)11(8,9)10/h1-12,14-25H,13,26-29H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1