2,3,3-trimethyl-7-phenyl-1-sulfanyl-heptan-2-ol

Systemtic Name: 2,3,3-trimethyl-7-phenyl-1-sulfanyl-heptan-2-ol Openeye Name: 2,3,3-trimethyl-7-phenyl-1-sulfanyl-heptan-2-ol CAS Name: 1-mercapto-2,3,3-trimethyl-7-phenyl-2-heptanol IUPAC Name: 2,3,3-trimethyl-7-phenyl-1-sulfanylheptan-2-ol Traditional Name: 1-mercapto-2,3,3-trimethyl-7-phenyl-heptan-2-ol Formula: C16H26OS MolecularWeight: 266.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1=CC=CC=C1)C(C)(CS)O

Isomeric SMILES

CC(C)(CCCCC1=CC=CC=C1)C(C)(CS)O

InChI

InChI=1S/C16H26OS/c1-15(2,16(3,17)13-18)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,17-18H,7-8,11-13H2,1-3H3