2-butyl-5-(tert-butylsulfonylmethyl)-4-oxidanyl-6-phenyl-hexanal

Systemtic Name: 2-butyl-5-(tert-butylsulfonylmethyl)-4-oxidanyl-6-phenyl-hexanal Openeye Name: 5-benzyl-2-butyl-6-tert-butylsulfonyl-4-hydroxy-hexanal CAS Name: 2-butyl-5-(tert-butylsulfonylmethyl)-4-hydroxy-6-phenylhexanal IUPAC Name: 5-benzyl-2-butyl-6-tert-butylsulfonyl-4-hydroxyhexanal Traditional Name: 5-benzyl-2-butyl-6-tert-butylsulfonyl-4-hydroxy-hexanal Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(CC1=CC=CC=C1)CS(=O)(=O)C(C)(C)C)O)C=O

Isomeric SMILES

CCCCC(CC(C(CC1=CC=CC=C1)CS(=O)(=O)C(C)(C)C)O)C=O

InChI

InChI=1S/C21H34O4S/c1-5-6-10-18(15-22)14-20(23)19(13-17-11-8-7-9-12-17)16-26(24,25)21(2,3)4/h7-9,11-12,15,18-20,23H,5-6,10,13-14,16H2,1-4H3