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

Systemtic Name: (E)-18-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]octadec-9-enoic acid Openeye Name: (E)-18-(3-chloro-1,4-dioxo-2-naphthyl)octadec-9-enoic acid CAS Name: (E)-18-(3-chloro-1,4-dioxo-2-naphthalenyl)-9-octadecenoic acid IUPAC Name: (E)-18-(3-chloro-1,4-dioxonaphthalen-2-yl)octadec-9-enoic acid Traditional Name: (E)-18-(3-chloro-1,4-diketo-2-naphthyl)octadec-9-enoic acid Formula: C28H37ClO4 MolecularWeight: 473.04398

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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

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C28H37ClO4/c29-26-24(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/h1,3,16-19H,2,4-15,20-21H2,(H,30,31)/b3-1+