[7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxidanylidene-chromen-5-yl] 5-(1,2-dithiolan-3-yl)pentanoate

Systemtic Name: [7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxidanylidene-chromen-5-yl] 5-(1,2-dithiolan-3-yl)pentanoate Openeye Name: [7-acetoxy-2-(3,4-diacetoxyphenyl)-4-oxo-chromen-5-yl] 5-(dithiolan-3-yl)pentanoate CAS Name: 5-(3-dithiolanyl)pentanoic acid [7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxo-1-benzopyran-5-yl] ester IUPAC Name: [7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl] 5-(dithiolan-3-yl)pentanoate Traditional Name: 5-(dithiolan-3-yl)valeric acid [7-acetoxy-2-(3,4-diacetoxyphenyl)-4-keto-chromen-5-yl] ester Formula: C29H28O10S2 MolecularWeight: 600.65662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)CCCCC4CCSS4)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)CCCCC4CCSS4)OC(=O)C

InChI

InChI=1S/C29H28O10S2/c1-16(30)35-20-13-26-29(27(14-20)39-28(34)7-5-4-6-21-10-11-40-41-21)22(33)15-24(38-26)19-8-9-23(36-17(2)31)25(12-19)37-18(3)32/h8-9,12-15,21H,4-7,10-11H2,1-3H3