7-methyl-7-oxidanyl-3-thiophen-3-yl-isochromene-6,8-dione

Systemtic Name: 7-methyl-7-oxidanyl-3-thiophen-3-yl-isochromene-6,8-dione Openeye Name: 7-hydroxy-7-methyl-3-(3-thienyl)isochromene-6,8-dione CAS Name: 7-hydroxy-7-methyl-3-(3-thiophenyl)-2-benzopyran-6,8-dione IUPAC Name: 7-hydroxy-7-methyl-3-thiophen-3-ylisochromene-6,8-dione Traditional Name: 7-hydroxy-7-methyl-3-(3-thienyl)isochromene-6,8-quinone Formula: C14H10O4S MolecularWeight: 274.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)O

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)O

InChI

InChI=1S/C14H10O4S/c1-14(17)12(15)5-9-4-11(8-2-3-19-7-8)18-6-10(9)13(14)16/h2-7,17H,1H3