4-(1-isothiocyanatoethoxy)benzaldehyde; propan-2-ol

Systemtic Name: 4-(1-isothiocyanatoethoxy)benzaldehyde; propan-2-ol Openeye Name: 4-(1-isothiocyanatoethoxy)benzaldehyde; propan-2-ol CAS Name: 4-(1-isothiocyanatoethoxy)benzaldehyde; 2-propanol IUPAC Name: 4-(1-isothiocyanatoethoxy)benzaldehyde; propan-2-ol Traditional Name: 4-(1-isothiocyanatoethoxy)benzaldehyde; propan-2-ol Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(N=C=S)OC1=CC=C(C=C1)C=O

Isomeric SMILES

CC(C)O.CC(N=C=S)OC1=CC=C(C=C1)C=O

InChI

InChI=1S/C10H9NO2S.C3H8O/c1-8(11-7-14)13-10-4-2-9(6-12)3-5-10;1-3(2)4/h2-6,8H,1H3;3-4H,1-2H3