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

Systemtic Name: 3-chloranyl-4-methyl-7-oxidanyl-chromen-2-one; dodecanoate Openeye Name: 3-chloro-7-hydroxy-4-methyl-chromen-2-one; dodecanoate CAS Name: 3-chloro-7-hydroxy-4-methyl-1-benzopyran-2-one; dodecanoate IUPAC Name: 3-chloro-7-hydroxy-4-methylchromen-2-one; dodecanoate Traditional Name: 3-chloro-7-hydroxy-4-methyl-coumarin; laurate Formula: C22H30ClO5- MolecularWeight: 409.9236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24O2.C10H7ClO3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-11H2,1H3,(H,13,14);2-4,12H,1H3/p-1