3-decyl-2-methyl-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 3-decyl-2-methyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 3-decyl-5-hydroxy-2-methyl-naphthalene-1,4-dione CAS Name: 3-decyl-5-hydroxy-2-methylnaphthalene-1,4-dione IUPAC Name: 3-decyl-5-hydroxy-2-methylnaphthalene-1,4-dione Traditional Name: 3-decyl-5-hydroxy-2-methyl-1,4-naphthoquinone Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

Isomeric SMILES

CCCCCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

InChI

InChI=1S/C21H28O3/c1-3-4-5-6-7-8-9-10-12-16-15(2)20(23)17-13-11-14-18(22)19(17)21(16)24/h11,13-14,22H,3-10,12H2,1-2H3