1,2-diphenylethane-1,2-dione; (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 1,2-diphenylethane-1,2-dione; (E)-12-oxidanyloctadec-9-enoate Openeye Name: 1,2-diphenylethane-1,2-dione; (E)-12-hydroxyoctadec-9-enoate CAS Name: 1,2-diphenylethane-1,2-dione; (E)-12-hydroxy-9-octadecenoate IUPAC Name: 1,2-diphenylethane-1,2-dione; (E)-12-hydroxyoctadec-9-enoate Traditional Name: benzil; (E)-12-hydroxyoctadec-9-enoate Formula: C32H43O5- MolecularWeight: 507.68082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)[O-])O.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H34O3.C14H10O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);1-10H/p-1/b12-9+;