6-chloranyl-4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7-methyl-coumarin Formula: C20H17ClO3S2 MolecularWeight: 404.93018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=CC=C(C=C3)C4SCCS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=CC=C(C=C3)C4SCCS4)Cl

InChI

InChI=1S/C20H17ClO3S2/c1-12-8-18-16(10-17(12)21)14(9-19(22)24-18)11-23-15-4-2-13(3-5-15)20-25-6-7-26-20/h2-5,8-10,20H,6-7,11H2,1H3