7-dodecyl-2-[3,4,5-tris(oxidanyl)phenyl]chromene-3,4-dione

Systemtic Name: 7-dodecyl-2-[3,4,5-tris(oxidanyl)phenyl]chromene-3,4-dione Openeye Name: 7-dodecyl-2-(3,4,5-trihydroxyphenyl)chromane-3,4-dione CAS Name: 7-dodecyl-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4-dione IUPAC Name: 7-dodecyl-2-(3,4,5-trihydroxyphenyl)chromene-3,4-dione Traditional Name: 7-lauryl-2-(3,4,5-trihydroxyphenyl)chroman-3,4-quinone Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(C=C1)C(=O)C(=O)C(O2)C3=CC(=C(C(=C3)O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(C=C1)C(=O)C(=O)C(O2)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C27H34O6/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-20-23(15-18)33-27(26(32)24(20)30)19-16-21(28)25(31)22(29)17-19/h13-17,27-29,31H,2-12H2,1H3