3-(hydroxymethyl)-5-(4-methyl-1-oxidanyl-pentyl)-1-oxidanylidene-3,5-bis(phenylmethyl)thian-4-ol

Systemtic Name: 3-(hydroxymethyl)-5-(4-methyl-1-oxidanyl-pentyl)-1-oxidanylidene-3,5-bis(phenylmethyl)thian-4-ol Openeye Name: 3,5-dibenzyl-3-(hydroxymethyl)-5-(1-hydroxy-4-methyl-pentyl)-1-oxo-thian-4-ol CAS Name: 3-(hydroxymethyl)-5-(1-hydroxy-4-methylpentyl)-1-oxo-3,5-bis(phenylmethyl)-4-thianol IUPAC Name: 3,5-dibenzyl-3-(hydroxymethyl)-5-(1-hydroxy-4-methylpentyl)-1-oxothian-4-ol Traditional Name: 3,5-dibenzyl-3-(1-hydroxy-4-methyl-pentyl)-1-keto-5-methylol-thian-4-ol Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1(CS(=O)CC(C1O)(CC2=CC=CC=C2)CO)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCC(C1(CS(=O)CC(C1O)(CC2=CC=CC=C2)CO)CC3=CC=CC=C3)O

InChI

InChI=1S/C26H36O4S/c1-20(2)13-14-23(28)26(16-22-11-7-4-8-12-22)19-31(30)18-25(17-27,24(26)29)15-21-9-5-3-6-10-21/h3-12,20,23-24,27-29H,13-19H2,1-2H3