1-(7-hexanoyl-4,5,9,10-tetrahydropyren-2-yl)hexan-1-one

Systemtic Name: 1-(7-hexanoyl-4,5,9,10-tetrahydropyren-2-yl)hexan-1-one Openeye Name: 1-(7-hexanoyl-4,5,9,10-tetrahydropyren-2-yl)hexan-1-one CAS Name: 1-[7-(1-oxohexyl)-4,5,9,10-tetrahydropyren-2-yl]-1-hexanone IUPAC Name: 1-(7-hexanoyl-4,5,9,10-tetrahydropyren-2-yl)hexan-1-one Traditional Name: 1-(7-caproyl-4,5,9,10-tetrahydropyren-2-yl)hexan-1-one Formula: C28H34O2 MolecularWeight: 402.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC2=C3C(=C1)CCC4=CC(=CC(=C43)CC2)C(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)C1=CC2=C3C(=C1)CCC4=CC(=CC(=C43)CC2)C(=O)CCCCC

InChI

InChI=1S/C28H34O2/c1-3-5-7-9-25(29)23-15-19-11-13-21-17-24(26(30)10-8-6-4-2)18-22-14-12-20(16-23)27(19)28(21)22/h15-18H,3-14H2,1-2H3