7,8-Dimethoxy-10,11-2H-4H-2-oxa-benzo(A)cyclopenta(E)cyclooctene-1,3,5-trione

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Basic information

CAS: 159305-55-2
Standard SMILES: COc1cc2c(cc1OC)C(=O)CC1=C(CC2)C(=O)OC1=O
InChIKey: YNYWIXNVOAULRT-UHFFFAOYSA-N
Molecular formula: C16H14O6
Average molar mass: 302.28 g/mol
Monoisotopic mass: 302.07903816

Names & identifiers

Preferred name: 7,8-Dimethoxy-10,11-2H-4H-2-oxa-benzo(A)cyclopenta(E)cyclooctene-1,3,5-trione
IUPAC: 13,14-dimethoxy-6-oxatricyclo[9.4.0.04,8]pentadeca-1(15),4(8),11,13-tetraene-2,5,7-trione

Names & synonyms

AKOS024284873ST0798697,8-DIMETHOXY-10,11-2H-4H-2-OXA-BENZO(A)CYCLOPENTA(E)CYCLOOCTENE-1,3,5-TRIONE7,8-dimethoxy-4,10,11-trihydrobenzo[a]furano[3,4-e][8]annulene-1,3,5-trione

Database identifiers

CAS: 159305-55-2
PubChem CID: 3533191
EC Number: 148-815-1

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 549

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Compound notes

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