2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione Openeye Name: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione CAS Name: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)-2-oxiranyl]methyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione Traditional Name: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]-1,4-naphthoquinone Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3C(O3)(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3C(O3)(C)CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C31H46O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-31(6)28(34-31)20-27-24(5)29(32)25-17-7-8-18-26(25)30(27)33/h7-8,17-18,21-23,28H,9-16,19-20H2,1-6H3