[4-(3-chloranylphenoxy)phenoxy]-ethoxycarbonyl-phenylsulfanyl-propan-2-yl-azanium

Systemtic Name: [4-(3-chloranylphenoxy)phenoxy]-ethoxycarbonyl-phenylsulfanyl-propan-2-yl-azanium Openeye Name: [4-(3-chlorophenoxy)phenoxy]-ethoxycarbonyl-isopropyl-phenylsulfanyl-ammonium CAS Name: [4-(3-chlorophenoxy)phenoxy]-ethoxycarbonyl-(phenylthio)-propan-2-ylammonium IUPAC Name: [4-(3-chlorophenoxy)phenoxy]-ethoxycarbonyl-phenylsulfanyl-propan-2-ylazanium Traditional Name: carbethoxy-[4-(3-chlorophenoxy)phenoxy]-isopropyl-(phenylthio)ammonium Formula: C24H25ClNO4S+ MolecularWeight: 458.9776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C(C)C)(OC1=CC=C(C=C1)OC2=CC(=CC=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[N+](C(C)C)(OC1=CC=C(C=C1)OC2=CC(=CC=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C24H25ClNO4S/c1-4-28-24(27)26(18(2)3,31-23-11-6-5-7-12-23)30-21-15-13-20(14-16-21)29-22-10-8-9-19(25)17-22/h5-18H,4H2,1-3H3/q+1