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

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tributoxy-6-butyl-chromen-4-one Openeye Name: 3,5,7-tributoxy-6-butyl-2-(3,4-dihydroxyphenyl)chromen-4-one CAS Name: 3,5,7-tributoxy-6-butyl-2-(3,4-dihydroxyphenyl)-1-benzopyran-4-one IUPAC Name: 3,5,7-tributoxy-6-butyl-2-(3,4-dihydroxyphenyl)chromen-4-one Traditional Name: 3,5,7-tributoxy-6-butyl-2-(3,4-dihydroxyphenyl)chromone Formula: C31H42O7 MolecularWeight: 526.66098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1OCCCC)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OCCCC)OCCCC

Isomeric SMILES

CCCCC1=C(C=C2C(=C1OCCCC)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OCCCC)OCCCC

InChI

InChI=1S/C31H42O7/c1-5-9-13-22-25(35-16-10-6-2)20-26-27(30(22)36-17-11-7-3)28(34)31(37-18-12-8-4)29(38-26)21-14-15-23(32)24(33)19-21/h14-15,19-20,32-33H,5-13,16-18H2,1-4H3