(3-hexadecoxy-2-methoxy-propyl)-(2-hydroxyethyl)-methyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl)-(2-hydroxyethyl)-methyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (3-hexadecoxy-2-methoxy-propyl)-(2-hydroxyethyl)-methyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (3-hexadecoxy-2-methoxypropyl)-(2-hydroxyethyl)-methylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (3-hexadecoxy-2-methoxypropyl)-(2-hydroxyethyl)-methylsulfanium; 4-methylbenzenesulfonate Traditional Name: (3-cetyloxy-2-methoxy-propyl)-(2-hydroxyethyl)-methyl-sulfonium tosylate Formula: C30H56O6S2 MolecularWeight: 576.89204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C[S+](C)CCO)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C[S+](C)CCO)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H49O3S.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23(25-2)22-27(3)20-18-24;1-6-2-4-7(5-3-6)11(8,9)10/h23-24H,4-22H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1