octadecyl 2-butyl-2-oxidanyl-3-phenyl-heptanoate

Systemtic Name: octadecyl 2-butyl-2-oxidanyl-3-phenyl-heptanoate Openeye Name: octadecyl 2-butyl-2-hydroxy-3-phenyl-heptanoate CAS Name: 2-butyl-2-hydroxy-3-phenylheptanoic acid octadecyl ester IUPAC Name: octadecyl 2-butyl-2-hydroxy-3-phenylheptanoate Traditional Name: 2-butyl-2-hydroxy-3-phenyl-enanthic acid stearyl ester Formula: C35H62O3 MolecularWeight: 530.86498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCC)(C(CCCC)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCC)(C(CCCC)C1=CC=CC=C1)O

InChI

InChI=1S/C35H62O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-26-31-38-34(36)35(37,30-9-6-3)33(29-8-5-2)32-27-24-23-25-28-32/h23-25,27-28,33,37H,4-22,26,29-31H2,1-3H3