4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-7,8-dimethyl-coumarin Formula: C21H20O3S2 MolecularWeight: 384.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=CC=C(C=C3)C4SCCS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C21H20O3S2/c1-13-3-8-18-16(11-19(22)24-20(18)14(13)2)12-23-17-6-4-15(5-7-17)21-25-9-10-26-21/h3-8,11,21H,9-10,12H2,1-2H3