[2,3,6-trimethyl-4-oxidanyl-5-(3-oxidanylpropyl)phenyl] thiocyanate

Systemtic Name: [2,3,6-trimethyl-4-oxidanyl-5-(3-oxidanylpropyl)phenyl] thiocyanate Openeye Name: [4-hydroxy-3-(3-hydroxypropyl)-2,5,6-trimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-hydroxy-3-(3-hydroxypropyl)-2,5,6-trimethylphenyl] ester IUPAC Name: [4-hydroxy-3-(3-hydroxypropyl)-2,5,6-trimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-hydroxy-3-(3-hydroxypropyl)-2,5,6-trimethyl-phenyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)CCCO)C)SC#N)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)CCCO)C)SC#N)C

InChI

InChI=1S/C13H17NO2S/c1-8-9(2)13(17-7-14)10(3)11(12(8)16)5-4-6-15/h15-16H,4-6H2,1-3H3