(5-methoxy-2,2-dimethyl-10-oxidanyl-3,4-dihydro-1H-anthracen-9-yl) thiocyanate

Systemtic Name: (5-methoxy-2,2-dimethyl-10-oxidanyl-3,4-dihydro-1H-anthracen-9-yl) thiocyanate Openeye Name: (10-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-1H-anthracen-9-yl) thiocyanate CAS Name: thiocyanic acid (10-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-1H-anthracen-9-yl) ester IUPAC Name: (10-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-1H-anthracen-9-yl) thiocyanate Traditional Name: thiocyanic acid (10-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-1H-anthracen-9-yl) ester Formula: C18H19NO2S MolecularWeight: 313.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C3=C(C=CC=C3OC)C(=C2C1)SC#N)O)C

Isomeric SMILES

CC1(CCC2=C(C3=C(C=CC=C3OC)C(=C2C1)SC#N)O)C

InChI

InChI=1S/C18H19NO2S/c1-18(2)8-7-11-13(9-18)17(22-10-19)12-5-4-6-14(21-3)15(12)16(11)20/h4-6,20H,7-9H2,1-3H3