1-(4-aminophenyl)-2-(hydroxymethyl)-18-methyl-2-oxidanyl-nonadecane-1,3-dione; oxidanylidenetitanium

Systemtic Name: 1-(4-aminophenyl)-2-(hydroxymethyl)-18-methyl-2-oxidanyl-nonadecane-1,3-dione; oxidanylidenetitanium Openeye Name: 1-(4-aminophenyl)-2-hydroxy-2-(hydroxymethyl)-18-methyl-nonadecane-1,3-dione; oxotitanium CAS Name: 1-(4-aminophenyl)-2-hydroxy-2-(hydroxymethyl)-18-methylnonadecane-1,3-dione; oxotitanium IUPAC Name: 1-(4-aminophenyl)-2-hydroxy-2-(hydroxymethyl)-18-methylnonadecane-1,3-dione; oxotitanium Traditional Name: 1-(4-aminophenyl)-2-hydroxy-18-methyl-2-methylol-nonadecane-1,3-dione; ketotitanium Formula: C27H45NO5Ti MolecularWeight: 511.5169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)C(CO)(C(=O)C1=CC=C(C=C1)N)O.O=[Ti]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)C(CO)(C(=O)C1=CC=C(C=C1)N)O.O=[Ti]

InChI

InChI=1S/C27H45NO4.O.Ti/c1-22(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(30)27(32,21-29)26(31)23-17-19-24(28)20-18-23;;/h17-20,22,29,32H,3-16,21,28H2,1-2H3;;