copper (E)-18-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]octadec-9-enoate

Systemtic Name: copper (E)-18-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]octadec-9-enoate Openeye Name: copper (E)-18-(3-chloro-1,4-dioxo-2-naphthyl)octadec-9-enoate CAS Name: copper (E)-18-(3-chloro-1,4-dioxo-2-naphthalenyl)-9-octadecenoate IUPAC Name: copper (E)-18-(3-chloro-1,4-dioxonaphthalen-2-yl)octadec-9-enoate Traditional Name: cupric (E)-18-(3-chloro-1,4-diketo-2-naphthyl)octadec-9-enoate Formula: C56H72Cl2CuO8 MolecularWeight: 1007.61808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)CCCCCCCCC=CCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)CCCCCCCCC=CCCCCCCCC(=O)[O-].[Cu+2]

Isomeric SMILES

C1=CC=C2C(=O)C(=C(C(=O)C2=C1)CCCCCCCC/C=C/CCCCCCCC(=O)[O-])Cl.C1=CC=C2C(=O)C(=C(C(=O)C2=C1)CCCCCCCC/C=C/CCCCCCCC(=O)[O-])Cl.[Cu+2]

InChI

InChI=1S/2C28H37ClO4.Cu/c2*29-26-24(27(32)22-18-16-17-19-23(22)28(26)33)20-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21-25(30)31;/h2*1,3,16-19H,2,4-15,20-21H2,(H,30,31);/q;;+2/p-2/b2*3-1+;