3-(2-methylbutyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(2-methylbutyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(2-methylbutyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(2-methylbutyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(2-methylbutyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(2-methylbutyl)-1,2-naphthoquinone Formula: C15H16O3 MolecularWeight: 244.28574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCC(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C15H16O3/c1-3-9(2)8-12-13(16)10-6-4-5-7-11(10)14(17)15(12)18/h4-7,9,16H,3,8H2,1-2H3