2-[(E)-octadec-2-enyl]-2-oxidanyl-indene-1,3-dione

Systemtic Name: 2-[(E)-octadec-2-enyl]-2-oxidanyl-indene-1,3-dione Openeye Name: 2-hydroxy-2-[(E)-octadec-2-enyl]indane-1,3-dione CAS Name: 2-hydroxy-2-[(E)-octadec-2-enyl]indene-1,3-dione IUPAC Name: 2-hydroxy-2-[(E)-octadec-2-enyl]indene-1,3-dione Traditional Name: 2-hydroxy-2-[(E)-octadec-2-enyl]indane-1,3-quinone Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CCC1(C(=O)C2=CC=CC=C2C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/CC1(C(=O)C2=CC=CC=C2C1=O)O

InChI

InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(30)25(28)23-20-17-18-21-24(23)26(27)29/h16-21,30H,2-15,22H2,1H3/b19-16+