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2-diethylaminoethyl 4-isothiocyanatobenzoate chloride

2-diethylaminoethyl 4-isothiocyanatobenzoate chloride

Systemtic Name:2-diethylaminoethyl 4-isothiocyanatobenzoate chloride
Openeye Name:2-diethylaminoethyl 4-isothiocyanatobenzoate chloride
CAS Name:4-isothiocyanatobenzoic acid 2-diethylaminoethyl ester chloride
IUPAC Name:2-diethylaminoethyl 4-isothiocyanatobenzoate chloride
Traditional Name:4-isothiocyanatobenzoic acid 2-diethylaminoethyl ester chloride
Formula: C14H18ClN2O2S-
MolecularWeight: 313.82292
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S.[Cl-]


Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S.[Cl-]


InChI

InChI=1S/C14H18N2O2S.ClH/c1-3-16(4-2)9-10-18-14(17)12-5-7-13(8-6-12)15-11-19;/h5-8H,3-4,9-10H2,1-2H3;1H/p-1


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