N-[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]carbamodithioate; (E)-undec-4-ene

Systemtic Name: N-[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]carbamodithioate; (E)-undec-4-ene Openeye Name: N-[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]carbamodithioate; (E)-undec-4-ene CAS Name: N-[4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)thio]phenyl]carbamodithioate; (E)-4-undecene IUPAC Name: N-[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]carbamodithioate; (E)-undec-4-ene Traditional Name: N-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]carbamodithioate; (E)-undec-4-ene Formula: C21H29ClFNO2S3 MolecularWeight: 478.106863

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCCC[CH2+].COC(=O)CSC1=C(C=C(C(=C1)NC(=S)[S-])F)Cl

Isomeric SMILES

CCC/C=C/CCCCC[CH2+].COC(=O)CSC1=C(C=C(C(=C1)NC(=S)[S-])F)Cl

InChI

InChI=1S/C11H21.C10H9ClFNO2S3/c1-3-5-7-9-11-10-8-6-4-2;1-15-9(14)4-18-8-3-7(13-10(16)17)6(12)2-5(8)11/h8,10H,1,3-7,9,11H2,2H3;2-3H,4H2,1H3,(H2,13,16,17)/q+1;/p-1/b10-8+;