2-[(E)-3-(dioxidanyl)-3,7,11,15-tetramethyl-hexadec-1-enyl]-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[(E)-3-(dioxidanyl)-3,7,11,15-tetramethyl-hexadec-1-enyl]-3-methyl-naphthalene-1,4-dione Openeye Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethyl-hexadec-1-enyl]-3-methyl-naphthalene-1,4-dione CAS Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethylhexadec-1-enyl]-3-methylnaphthalene-1,4-dione IUPAC Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethylhexadec-1-enyl]-3-methylnaphthalene-1,4-dione Traditional Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethyl-hexadec-1-enyl]-3-methyl-1,4-naphthoquinone Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)C=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)OO

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)/C=C/C(C)(CCCC(C)CCCC(C)CCCC(C)C)OO

InChI

InChI=1S/C31H46O4/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6,35-34)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33/h7-8,17-19,21-24,34H,9-16,20H2,1-6H3/b21-19+