(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H22O7S MolecularWeight: 502.53508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C(C)C

InChI

InChI=1S/C28H22O7S/c1-15(2)21-13-22-18(12-26(29)35-23(22)10-16(21)3)14-34-28(31)17-8-9-20-25(11-17)36(32,33)24-7-5-4-6-19(24)27(20)30/h4-13,15H,14H2,1-3H3