calcium [(Z)-1-chloranylbutylideneamino] N-phenylcarbamate dichloride

Systemtic Name: calcium [(Z)-1-chloranylbutylideneamino] N-phenylcarbamate dichloride Openeye Name: calcium [(Z)-1-chlorobutylideneamino] N-phenylcarbamate dichloride CAS Name: calcium N-phenylcarbamic acid [(Z)-1-chlorobutylideneamino] ester dichloride IUPAC Name: calcium [(Z)-1-chlorobutylideneamino] N-phenylcarbamate dichloride Traditional Name: calcium N-phenylcarbamic acid [(Z)-1-chlorobutylideneamino] ester dichloride Formula: C11H13CaCl3N2O2 MolecularWeight: 351.67012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOC(=O)NC1=CC=CC=C1)Cl.[Cl-].[Cl-].[Ca+2]

Isomeric SMILES

CCC/C(=N/OC(=O)NC1=CC=CC=C1)/Cl.[Cl-].[Cl-].[Ca+2]

InChI

InChI=1S/C11H13ClN2O2.Ca.2ClH/c1-2-6-10(12)14-16-11(15)13-9-7-4-3-5-8-9;;;/h3-5,7-8H,2,6H2,1H3,(H,13,15);;2*1H/q;+2;;/p-2/b14-10-;;;