3-butyl-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-butyl-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-benzyl-3-butyl-2-methoxy-1,4-benzoquinone CAS Name: 3-butyl-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-benzyl-3-butyl-2-methoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-benzyl-3-butyl-2-methoxy-p-benzoquinone Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C=C(C1=O)CC2=CC=CC=C2)OC

Isomeric SMILES

CCCCC1=C(C(=O)C=C(C1=O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C18H20O3/c1-3-4-10-15-17(20)14(12-16(19)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3