hexadecyl 2-[6-hexadecoxycarbonyl-2,3,4-tris(oxidanyl)phenyl]-3,4,5-tris(oxidanyl)benzoate

Systemtic Name: hexadecyl 2-[6-hexadecoxycarbonyl-2,3,4-tris(oxidanyl)phenyl]-3,4,5-tris(oxidanyl)benzoate Openeye Name: hexadecyl 2-(6-hexadecoxycarbonyl-2,3,4-trihydroxy-phenyl)-3,4,5-trihydroxy-benzoate CAS Name: 2-[6-[hexadecoxy(oxo)methyl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 2-(6-hexadecoxycarbonyl-2,3,4-trihydroxyphenyl)-3,4,5-trihydroxybenzoate Traditional Name: 2-(6-cetyloxycarbonyl-2,3,4-trihydroxy-phenyl)-3,4,5-trihydroxy-benzoic acid cetyl ester Formula: C46H74O10 MolecularWeight: 787.07376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1C2=C(C(=C(C=C2C(=O)OCCCCCCCCCCCCCCCC)O)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1C2=C(C(=C(C=C2C(=O)OCCCCCCCCCCCCCCCC)O)O)O)O)O)O

InChI

InChI=1S/C46H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-55-45(53)35-33-37(47)41(49)43(51)39(35)40-36(34-38(48)42(50)44(40)52)46(54)56-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,47-52H,3-32H2,1-2H3