6,7-dimethoxy-4-(4-oxidanylbut-1-ynyl)-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 6,7-dimethoxy-4-(4-oxidanylbut-1-ynyl)-3-thiophen-3-yl-isochromen-1-one Openeye Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(3-thienyl)isochromen-1-one CAS Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-thiophen-3-ylisochromen-1-one Traditional Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(3-thienyl)isocoumarin Formula: C19H16O5S MolecularWeight: 356.39234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CCCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CCCO)OC

InChI

InChI=1S/C19H16O5S/c1-22-16-9-14-13(5-3-4-7-20)18(12-6-8-25-11-12)24-19(21)15(14)10-17(16)23-2/h6,8-11,20H,4,7H2,1-2H3