2-[3,4-bis(oxidanyl)phenyl]-3-hexadecyl-5,6,7-trimethoxy-chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3-hexadecyl-5,6,7-trimethoxy-chromen-4-one Openeye Name: 2-(3,4-dihydroxyphenyl)-3-hexadecyl-5,6,7-trimethoxy-chromen-4-one CAS Name: 2-(3,4-dihydroxyphenyl)-3-hexadecyl-5,6,7-trimethoxy-1-benzopyran-4-one IUPAC Name: 2-(3,4-dihydroxyphenyl)-3-hexadecyl-5,6,7-trimethoxychromen-4-one Traditional Name: 3-cetyl-2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy-chromone Formula: C34H48O7 MolecularWeight: 568.74072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(OC2=CC(=C(C(=C2C1=O)OC)OC)OC)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(OC2=CC(=C(C(=C2C1=O)OC)OC)OC)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C34H48O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-31(37)30-28(23-29(38-2)33(39-3)34(30)40-4)41-32(25)24-20-21-26(35)27(36)22-24/h20-23,35-36H,5-19H2,1-4H3