3-chloranyl-4-methyl-7-oxidanyl-chromen-2-one; hexadecanoate

Systemtic Name: 3-chloranyl-4-methyl-7-oxidanyl-chromen-2-one; hexadecanoate Openeye Name: 3-chloro-7-hydroxy-4-methyl-chromen-2-one; hexadecanoate CAS Name: 3-chloro-7-hydroxy-4-methyl-1-benzopyran-2-one; hexadecanoate IUPAC Name: 3-chloro-7-hydroxy-4-methylchromen-2-one; hexadecanoate Traditional Name: 3-chloro-7-hydroxy-4-methyl-coumarin; palmitate Formula: C26H38ClO5- MolecularWeight: 466.02992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)[O-].CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[O-].CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl

InChI

InChI=1S/C16H32O2.C10H7ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-15H2,1H3,(H,17,18);2-4,12H,1H3/p-1