2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-1,4-benzoquinone CAS Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-p-benzoquinone Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C

InChI

InChI=1S/C27H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(22-28(2)3)25(29)21-26(31-4)27(23)30/h10-11,21H,5-9,12-20,22H2,1-4H3/b11-10+