[(3R,13S)-3,13-dimethylheptadecan-5-yl]sulfonylbenzene

Systemtic Name: [(3R,13S)-3,13-dimethylheptadecan-5-yl]sulfonylbenzene Openeye Name: [(9S)-9-methyl-1-[(2R)-2-methylbutyl]tridecyl]sulfonylbenzene CAS Name: [(3R,13S)-3,13-dimethylheptadecan-5-yl]sulfonylbenzene IUPAC Name: [(3R,13S)-3,13-dimethylheptadecan-5-yl]sulfonylbenzene Traditional Name: [(9S)-9-methyl-1-[(2R)-2-methylbutyl]tridecyl]sulfonylbenzene Formula: C25H44O2S MolecularWeight: 408.68066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCCCCCCC(CC(C)CC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC[C@H](C)CCCCCCCC(C[C@H](C)CC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H44O2S/c1-5-7-16-23(4)17-12-9-8-10-13-20-25(21-22(3)6-2)28(26,27)24-18-14-11-15-19-24/h11,14-15,18-19,22-23,25H,5-10,12-13,16-17,20-21H2,1-4H3/t22-,23+,25?/m1/s1