3-hexyl-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: 3-hexyl-1H-isochromene-5,6-diol hydrochloride Openeye Name: 3-hexyl-1H-isochromene-5,6-diol hydrochloride CAS Name: 3-hexyl-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 3-hexyl-1H-isochromene-5,6-diol hydrochloride Traditional Name: 3-hexyl-1H-isochromene-5,6-diol hydrochloride Formula: C15H21ClO3 MolecularWeight: 284.77844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(CO1)C=CC(=C2O)O.Cl

Isomeric SMILES

CCCCCCC1=CC2=C(CO1)C=CC(=C2O)O.Cl

InChI

InChI=1S/C15H20O3.ClH/c1-2-3-4-5-6-12-9-13-11(10-18-12)7-8-14(16)15(13)17;/h7-9,16-17H,2-6,10H2,1H3;1H