7-(3-methyloctan-2-yl)-5-oxidanyl-4-thiophen-2-yl-chromen-2-one

Systemtic Name: 7-(3-methyloctan-2-yl)-5-oxidanyl-4-thiophen-2-yl-chromen-2-one Openeye Name: 7-(1,2-dimethylheptyl)-5-hydroxy-4-(2-thienyl)chromen-2-one CAS Name: 5-hydroxy-7-(3-methyloctan-2-yl)-4-thiophen-2-yl-1-benzopyran-2-one IUPAC Name: 5-hydroxy-7-(3-methyloctan-2-yl)-4-thiophen-2-ylchromen-2-one Traditional Name: 7-(1,2-dimethylheptyl)-5-hydroxy-4-(2-thienyl)coumarin Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(C(=CC(=O)O2)C3=CC=CS3)C(=C1)O

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(C(=CC(=O)O2)C3=CC=CS3)C(=C1)O

InChI

InChI=1S/C22H26O3S/c1-4-5-6-8-14(2)15(3)16-11-18(23)22-17(20-9-7-10-26-20)13-21(24)25-19(22)12-16/h7,9-15,23H,4-6,8H2,1-3H3