2-[(4-methoxyphenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]indene-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]indene-1,3-dione Openeye Name: 2-[(2-hydroxy-4-oxo-thiochromen-3-yl)-(4-methoxyphenyl)methyl]indane-1,3-dione CAS Name: 2-[(2-hydroxy-4-oxo-1-benzothiopyran-3-yl)-(4-methoxyphenyl)methyl]indene-1,3-dione IUPAC Name: 2-[(2-hydroxy-4-oxothiochromen-3-yl)-(4-methoxyphenyl)methyl]indene-1,3-dione Traditional Name: 2-[(2-hydroxy-4-keto-thiochromen-3-yl)-(4-methoxyphenyl)methyl]indane-1,3-quinone Formula: C26H18O5S MolecularWeight: 442.48312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2C(=O)C3=CC=CC=C3C2=O)C4=C(SC5=CC=CC=C5C4=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2C(=O)C3=CC=CC=C3C2=O)C4=C(SC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C26H18O5S/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-3-7-17(16)24(21)28)22-25(29)18-8-4-5-9-19(18)32-26(22)30/h2-13,20-21,30H,1H3