1-[4-(hexadecylamino)phenyl]-3,4-bis(oxidanyl)butane-1,2-dione

Systemtic Name: 1-[4-(hexadecylamino)phenyl]-3,4-bis(oxidanyl)butane-1,2-dione Openeye Name: 1-[4-(hexadecylamino)phenyl]-3,4-dihydroxy-butane-1,2-dione CAS Name: 1-[4-(hexadecylamino)phenyl]-3,4-dihydroxybutane-1,2-dione IUPAC Name: 1-[4-(hexadecylamino)phenyl]-3,4-dihydroxybutane-1,2-dione Traditional Name: 1-[4-(cetylamino)phenyl]-3,4-dihydroxy-butane-1,2-dione Formula: C26H43NO4 MolecularWeight: 433.62392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(=O)C(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(=O)C(CO)O

InChI

InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-23-18-16-22(17-19-23)25(30)26(31)24(29)21-28/h16-19,24,27-29H,2-15,20-21H2,1H3