2-(2-methyl-6-oxidanylidene-undecan-5-yl)-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-(2-methyl-6-oxidanylidene-undecan-5-yl)-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-(1-isopentyl-2-oxo-heptyl)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-(2-methyl-6-oxoundecan-5-yl)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-(2-methyl-6-oxoundecan-5-yl)naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-(1-isoamyl-2-keto-heptyl)-1,4-naphthoquinone Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCC(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O

Isomeric SMILES

CCCCCC(=O)C(CCC(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O

InChI

InChI=1S/C22H28O5/c1-4-5-6-7-16(23)14(9-8-13(2)3)15-12-19(26)20-17(24)10-11-18(25)21(20)22(15)27/h10-14,24-25H,4-9H2,1-3H3