[4-(hexadecylsulfanylmethyl)-5-oxidanyl-pentan-2-yl] benzoate

Systemtic Name: [4-(hexadecylsulfanylmethyl)-5-oxidanyl-pentan-2-yl] benzoate Openeye Name: [3-(hexadecylsulfanylmethyl)-4-hydroxy-1-methyl-butyl] benzoate CAS Name: benzoic acid [4-[(hexadecylthio)methyl]-5-hydroxypentan-2-yl] ester IUPAC Name: [4-(hexadecylsulfanylmethyl)-5-hydroxypentan-2-yl] benzoate Traditional Name: benzoic acid [3-[(cetylthio)methyl]-4-hydroxy-1-methyl-butyl] ester Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC(C)OC(=O)C1=CC=CC=C1)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC(C)OC(=O)C1=CC=CC=C1)CO

InChI

InChI=1S/C29H50O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33-25-27(24-30)23-26(2)32-29(31)28-20-17-16-18-21-28/h16-18,20-21,26-27,30H,3-15,19,22-25H2,1-2H3