1-[3,4-bis(oxidanyl)phenyl]-2-(octadecylamino)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(octadecylamino)ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(octadecylamino)ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(octadecylamino)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(octadecylamino)ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(stearylamino)ethanone Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22-26(30)23-18-19-24(28)25(29)21-23/h18-19,21,27-29H,2-17,20,22H2,1H3