2-phenyl-1-sulfonyl-heptan-3-ol

Systemtic Name: 2-phenyl-1-sulfonyl-heptan-3-ol Openeye Name: 2-phenyl-1-sulfonyl-heptan-3-ol CAS Name: 2-phenyl-1-sulfonyl-3-heptanol IUPAC Name: 2-phenyl-1-sulfonylheptan-3-ol Traditional Name: 2-phenyl-1-sulfonyl-heptan-3-ol Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-2-3-9-13(14)12(10-17(15)16)11-7-5-4-6-8-11/h4-8,10,12-14H,2-3,9H2,1H3