2-[(E,8S,12S)-4,8,12,16-tetramethylheptadec-3-enyl]naphthalene-1,4-dione

Systemtic Name: 2-[(E,8S,12S)-4,8,12,16-tetramethylheptadec-3-enyl]naphthalene-1,4-dione Openeye Name: 2-[(E,8S,12S)-4,8,12,16-tetramethylheptadec-3-enyl]naphthalene-1,4-dione CAS Name: 2-[(E,8S,12S)-4,8,12,16-tetramethylheptadec-3-enyl]naphthalene-1,4-dione IUPAC Name: 2-[(E,8S,12S)-4,8,12,16-tetramethylheptadec-3-enyl]naphthalene-1,4-dione Traditional Name: 2-[(E,8S,12S)-4,8,12,16-tetramethylheptadec-3-enyl]-1,4-naphthoquinone Formula: C31H46O2 MolecularWeight: 450.69574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(=CCCC1=CC(=O)C2=CC=CC=C2C1=O)C

Isomeric SMILES

C[C@H](CCC[C@H](C)CCC/C(=C/CCC1=CC(=O)C2=CC=CC=C2C1=O)/C)CCCC(C)C

InChI

InChI=1S/C31H46O2/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27-22-30(32)28-20-6-7-21-29(28)31(27)33/h6-7,18,20-25H,8-17,19H2,1-5H3/b26-18+/t24-,25-/m0/s1