2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-3-[(3-phenoxyphenyl)methoxy]chromen-4-one

Systemtic Name: 2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-3-[(3-phenoxyphenyl)methoxy]chromen-4-one Openeye Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-[(3-phenoxyphenyl)methoxy]chromen-4-one CAS Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-[(3-phenoxyphenyl)methoxy]-1-benzopyran-4-one IUPAC Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-[(3-phenoxyphenyl)methoxy]chromen-4-one Traditional Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-(3-phenoxybenzyl)oxy-chromone Formula: C33H29ClO4 MolecularWeight: 525.03396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)Cl

InChI

InChI=1S/C33H29ClO4/c1-21-17-29-27(19-28(21)34)30(35)32(31(38-29)23-13-15-24(16-14-23)33(2,3)4)36-20-22-9-8-12-26(18-22)37-25-10-6-5-7-11-25/h5-19H,20H2,1-4H3