7-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethoxy]-6-chloranyl-4-methyl-chromen-2-one

Systemtic Name: 7-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethoxy]-6-chloranyl-4-methyl-chromen-2-one Openeye Name: 6-chloro-4-methyl-7-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethoxy]-6-chloro-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethoxy]-6-chloro-4-methylchromen-2-one Traditional Name: 6-chloro-7-[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethoxy]-4-methyl-coumarin Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C3C(=CC(=O)OC3=C2)C)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC2=C(C=C3C(=CC(=O)OC3=C2)C)Cl

InChI

InChI=1S/C22H21ClO4/c1-4-13(2)15-5-7-16(8-6-15)19(24)12-26-21-11-20-17(10-18(21)23)14(3)9-22(25)27-20/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1