4-azanyl-1-phenyl-dodecane-6-thiol

Systemtic Name: 4-azanyl-1-phenyl-dodecane-6-thiol Openeye Name: 4-amino-1-phenyl-dodecane-6-thiol CAS Name: 4-amino-1-phenyl-6-dodecanethiol IUPAC Name: 4-amino-1-phenyldodecane-6-thiol Traditional Name: 4-amino-1-phenyl-dodecane-6-thiol Formula: C18H31NS MolecularWeight: 293.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(CCCC1=CC=CC=C1)N)S

Isomeric SMILES

CCCCCCC(CC(CCCC1=CC=CC=C1)N)S

InChI

InChI=1S/C18H31NS/c1-2-3-4-8-14-18(20)15-17(19)13-9-12-16-10-6-5-7-11-16/h5-7,10-11,17-18,20H,2-4,8-9,12-15,19H2,1H3