7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-6-hexyl-4-phenyl-chromen-2-one

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-6-hexyl-4-phenyl-chromen-2-one Openeye Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-6-hexyl-4-phenyl-chromen-2-one CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-6-hexyl-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-6-hexyl-4-phenylchromen-2-one Traditional Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-6-hexyl-4-phenyl-coumarin Formula: C29H27ClO5 MolecularWeight: 490.97468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C29H27ClO5/c1-2-3-4-6-11-20-12-23-22(19-9-7-5-8-10-19)14-29(31)35-26(23)16-25(20)32-17-21-13-27-28(15-24(21)30)34-18-33-27/h5,7-10,12-16H,2-4,6,11,17-18H2,1H3