8-chloranyl-8-[5-methyl-2-[1-(oxan-2-yloxy)octylsulfonyl]phenyl]octan-1-ol

Systemtic Name: 8-chloranyl-8-[5-methyl-2-[1-(oxan-2-yloxy)octylsulfonyl]phenyl]octan-1-ol Openeye Name: 8-chloro-8-[5-methyl-2-(1-tetrahydropyran-2-yloxyoctylsulfonyl)phenyl]octan-1-ol CAS Name: 8-chloro-8-[5-methyl-2-[1-(2-oxanyloxy)octylsulfonyl]phenyl]-1-octanol IUPAC Name: 8-chloro-8-[5-methyl-2-[1-(oxan-2-yloxy)octylsulfonyl]phenyl]octan-1-ol Traditional Name: 8-chloro-8-[5-methyl-2-(1-tetrahydropyran-2-yloxyoctylsulfonyl)phenyl]octan-1-ol Formula: C28H47ClO5S MolecularWeight: 531.18778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(OC1CCCCO1)S(=O)(=O)C2=C(C=C(C=C2)C)C(CCCCCCCO)Cl

Isomeric SMILES

CCCCCCCC(OC1CCCCO1)S(=O)(=O)C2=C(C=C(C=C2)C)C(CCCCCCCO)Cl

InChI

InChI=1S/C28H47ClO5S/c1-3-4-5-7-11-17-28(34-27-16-12-14-21-33-27)35(31,32)26-19-18-23(2)22-24(26)25(29)15-10-8-6-9-13-20-30/h18-19,22,25,27-28,30H,3-17,20-21H2,1-2H3