4-(3-oxidanylidene-3-pentadecoxy-2-pentadecoxycarbonyl-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3-pentadecoxy-2-pentadecoxycarbonyl-prop-1-enyl)benzoic acid Openeye Name: 4-(3-oxo-3-pentadecoxy-2-pentadecoxycarbonyl-prop-1-enyl)benzoic acid CAS Name: 4-[3-oxo-2-[oxo(pentadecoxy)methyl]-3-pentadecoxyprop-1-enyl]benzoic acid IUPAC Name: 4-(3-oxo-3-pentadecoxy-2-pentadecoxycarbonylprop-1-enyl)benzoic acid Traditional Name: 4-(3-keto-3-pentadecoxy-2-pentadecoxycarbonyl-prop-1-enyl)benzoic acid Formula: C41H68O6 MolecularWeight: 656.97502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H68O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-46-40(44)38(35-36-29-31-37(32-30-36)39(42)43)41(45)47-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,42,43)