2-[(13S)-13-methyl-10-(phenylsulfonyl)heptacosoxy]oxane

Systemtic Name: 2-[(13S)-13-methyl-10-(phenylsulfonyl)heptacosoxy]oxane Openeye Name: 2-[(13S)-10-(benzenesulfonyl)-13-methyl-heptacosoxy]tetrahydropyran CAS Name: 2-[(13S)-10-(benzenesulfonyl)-13-methylheptacosoxy]oxane IUPAC Name: 2-[(13S)-10-(benzenesulfonyl)-13-methylheptacosoxy]oxane Traditional Name: 2-[(13S)-10-besyl-13-methyl-heptacosoxy]tetrahydropyran Formula: C39H70O4S MolecularWeight: 635.0357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)CCC(CCCCCCCCCOC1CCCCO1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC[C@H](C)CCC(CCCCCCCCCOC1CCCCO1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C39H70O4S/c1-3-4-5-6-7-8-9-10-11-13-16-20-27-36(2)32-33-38(44(40,41)37-28-22-19-23-29-37)30-21-17-14-12-15-18-25-34-42-39-31-24-26-35-43-39/h19,22-23,28-29,36,38-39H,3-18,20-21,24-27,30-35H2,1-2H3/t36-,38?,39?/m0/s1