1-(6,8-diheptyl-2-methyl-4H-chromen-3-yl)butan-1-one

Systemtic Name: 1-(6,8-diheptyl-2-methyl-4H-chromen-3-yl)butan-1-one Openeye Name: 1-(6,8-diheptyl-2-methyl-4H-chromen-3-yl)butan-1-one CAS Name: 1-(6,8-diheptyl-2-methyl-4H-1-benzopyran-3-yl)-1-butanone IUPAC Name: 1-(6,8-diheptyl-2-methyl-4H-chromen-3-yl)butan-1-one Traditional Name: 1-(6,8-diheptyl-2-methyl-4H-chromen-3-yl)butan-1-one Formula: C28H44O2 MolecularWeight: 412.64776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C2C(=C1)CC(=C(O2)C)C(=O)CCC)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC(=C2C(=C1)CC(=C(O2)C)C(=O)CCC)CCCCCCC

InChI

InChI=1S/C28H44O2/c1-5-8-10-12-14-17-23-19-24(18-15-13-11-9-6-2)28-25(20-23)21-26(22(4)30-28)27(29)16-7-3/h19-20H,5-18,21H2,1-4H3