1,5-bis[4-oxidanyl-3,5-di(propan-2-yl)phenyl]pentan-3-yl octadecanoate

Systemtic Name: 1,5-bis[4-oxidanyl-3,5-di(propan-2-yl)phenyl]pentan-3-yl octadecanoate Openeye Name: [3-(4-hydroxy-3,5-diisopropyl-phenyl)-1-[2-(4-hydroxy-3,5-diisopropyl-phenyl)ethyl]propyl] octadecanoate CAS Name: octadecanoic acid 1,5-bis[4-hydroxy-3,5-di(propan-2-yl)phenyl]pentan-3-yl ester IUPAC Name: 1,5-bis[4-hydroxy-3,5-di(propan-2-yl)phenyl]pentan-3-yl octadecanoate Traditional Name: stearic acid [3-(4-hydroxy-3,5-diisopropyl-phenyl)-1-[2-(4-hydroxy-3,5-diisopropyl-phenyl)ethyl]propyl] ester Formula: C47H78O4 MolecularWeight: 707.11982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CCC1=CC(=C(C(=C1)C(C)C)O)C(C)C)CCC2=CC(=C(C(=C2)C(C)C)O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CCC1=CC(=C(C(=C1)C(C)C)O)C(C)C)CCC2=CC(=C(C(=C2)C(C)C)O)C(C)C

InChI

InChI=1S/C47H78O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-45(48)51-40(28-26-38-30-41(34(2)3)46(49)42(31-38)35(4)5)29-27-39-32-43(36(6)7)47(50)44(33-39)37(8)9/h30-37,40,49-50H,10-29H2,1-9H3