5,6-bis(pent-1-ynyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: 5,6-bis(pent-1-ynyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: 5,6-bis(pent-1-ynyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: 5,6-bis(pent-1-ynyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: 5,6-bis(pent-1-ynyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: 5,6-bis(pent-1-ynyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(CC2C(C1)C(=O)OC2=O)C#CCCC

Isomeric SMILES

CCCC#CC1=C(CC2C(C1)C(=O)OC2=O)C#CCCC

InChI

InChI=1S/C18H20O3/c1-3-5-7-9-13-11-15-16(18(20)21-17(15)19)12-14(13)10-8-6-4-2/h15-16H,3-6,11-12H2,1-2H3