2-[13-(2,3-dihydro-1-benzofuran-6-yl)tridecanoyl]-3,4-bis(oxidanyl)cyclohex-2-en-1-one

Systemtic Name: 2-[13-(2,3-dihydro-1-benzofuran-6-yl)tridecanoyl]-3,4-bis(oxidanyl)cyclohex-2-en-1-one Openeye Name: 2-[13-(2,3-dihydrobenzofuran-6-yl)tridecanoyl]-3,4-dihydroxy-cyclohex-2-en-1-one CAS Name: 2-[13-(2,3-dihydrobenzofuran-6-yl)-1-oxotridecyl]-3,4-dihydroxy-1-cyclohex-2-enone IUPAC Name: 2-[13-(2,3-dihydro-1-benzofuran-6-yl)tridecanoyl]-3,4-dihydroxycyclohex-2-en-1-one Traditional Name: 2-(13-coumaran-6-yltridecanoyl)-3,4-dihydroxy-cyclohex-2-en-1-one Formula: C27H38O5 MolecularWeight: 442.58762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCC2=CC3=C(CCO3)C=C2

Isomeric SMILES

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCC2=CC3=C(CCO3)C=C2

InChI

InChI=1S/C27H38O5/c28-22(26-23(29)15-16-24(30)27(26)31)12-10-8-6-4-2-1-3-5-7-9-11-20-13-14-21-17-18-32-25(21)19-20/h13-14,19,24,30-31H,1-12,15-18H2