2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-benzene-1,4-diol

Systemtic Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-benzene-1,4-diol Openeye Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-benzene-1,4-diol CAS Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxybenzene-1,4-diol IUPAC Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxybenzene-1,4-diol Traditional Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-hydroquinone Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC1=C(C(=CC(=C1O)OC)O)CN(C)C

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCC1=C(C(=CC(=C1O)OC)O)CN(C)C

InChI

InChI=1S/C27H47NO3/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/h10-11,21,29-30H,5-9,12-20,22H2,1-4H3/b11-10+