7-butoxy-3,4,8-trimethyl-chromen-2-one; methanamine; hydrochloride

Systemtic Name: 7-butoxy-3,4,8-trimethyl-chromen-2-one; methanamine; hydrochloride Openeye Name: 7-butoxy-3,4,8-trimethyl-chromen-2-one; methanamine; hydrochloride CAS Name: 7-butoxy-3,4,8-trimethyl-1-benzopyran-2-one; methanamine; hydrochloride IUPAC Name: 7-butoxy-3,4,8-trimethylchromen-2-one; methanamine; hydrochloride Traditional Name: 7-butoxy-3,4,8-trimethyl-coumarin; methylamine; hydrochloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C.CN.Cl

Isomeric SMILES

CCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C.CN.Cl

InChI

InChI=1S/C16H20O3.CH5N.ClH/c1-5-6-9-18-14-8-7-13-10(2)11(3)16(17)19-15(13)12(14)4;1-2;/h7-8H,5-6,9H2,1-4H3;2H2,1H3;1H