(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C29H22O6S MolecularWeight: 498.54638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC4=CC(=O)OC5=C4C=CC(=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C29H22O6S/c1-17-7-9-21-19(13-27(30)34-24(21)11-17)15-33-29(32)23-5-3-4-6-26(23)36-16-20-14-28(31)35-25-12-18(2)8-10-22(20)25/h3-14H,15-16H2,1-2H3