6-dodecyl-4-methyl-2-phenyl-chromenylium-7-ol chloride

Systemtic Name: 6-dodecyl-4-methyl-2-phenyl-chromenylium-7-ol chloride Openeye Name: 6-dodecyl-4-methyl-2-phenyl-chromenylium-7-ol chloride CAS Name: 6-dodecyl-4-methyl-2-phenyl-1-benzopyrylium-7-ol chloride IUPAC Name: 6-dodecyl-4-methyl-2-phenylchromenylium-7-ol chloride Traditional Name: 6-lauryl-4-methyl-2-phenyl-1-benzopyrylium-7-ol chloride Formula: C28H37ClO2 MolecularWeight: 441.04518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C2C(=C1)C(=CC(=[O+]2)C3=CC=CC=C3)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C2C(=C1)C(=CC(=[O+]2)C3=CC=CC=C3)C)O.[Cl-]

InChI

InChI=1S/C28H36O2.ClH/c1-3-4-5-6-7-8-9-10-11-13-18-24-20-25-22(2)19-27(23-16-14-12-15-17-23)30-28(25)21-26(24)29;/h12,14-17,19-21H,3-11,13,18H2,1-2H3;1H