3-butyl-2-[(5-butyl-3-methyl-2-oxidanyl-phenyl)methyl]-7-[2-(3-ethyl-4-oxidanyl-phenyl)propan-2-yl]-5H-benzo[d][1,3]benzodioxocin-11-one

Systemtic Name: 3-butyl-2-[(5-butyl-3-methyl-2-oxidanyl-phenyl)methyl]-7-[2-(3-ethyl-4-oxidanyl-phenyl)propan-2-yl]-5H-benzo[d][1,3]benzodioxocin-11-one Openeye Name: 3-butyl-2-[(5-butyl-2-hydroxy-3-methyl-phenyl)methyl]-7-[1-(3-ethyl-4-hydroxy-phenyl)-1-methyl-ethyl]-5H-benzo[d][1,3]benzodioxocin-11-one CAS Name: 3-butyl-2-[(5-butyl-2-hydroxy-3-methylphenyl)methyl]-7-[2-(3-ethyl-4-hydroxyphenyl)propan-2-yl]-5H-benzo[d][1,3]benzodioxocin-11-one IUPAC Name: 3-butyl-2-[(5-butyl-2-hydroxy-3-methylphenyl)methyl]-7-[2-(3-ethyl-4-hydroxyphenyl)propan-2-yl]-5H-benzo[d][1,3]benzodioxocin-11-one Traditional Name: 3-butyl-2-(5-butyl-2-hydroxy-3-methyl-benzyl)-7-[1-(3-ethyl-4-hydroxy-phenyl)-1-methyl-ethyl]-5H-benzo[d][1,3]benzodioxocin-11-one Formula: C41H48O5 MolecularWeight: 620.81682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1)CC2=C(C=C3CC4=C(C=CC(=C4)C(C)(C)C5=CC(=C(C=C5)O)CC)OC(=O)OC3=C2)CCCC)O)C

Isomeric SMILES

CCCCC1=CC(=C(C(=C1)CC2=C(C=C3CC4=C(C=CC(=C4)C(C)(C)C5=CC(=C(C=C5)O)CC)OC(=O)OC3=C2)CCCC)O)C

InChI

InChI=1S/C41H48O5/c1-7-10-12-27-18-26(4)39(43)33(19-27)21-30-25-38-31(20-29(30)13-11-8-2)22-32-24-35(15-17-37(32)45-40(44)46-38)41(5,6)34-14-16-36(42)28(9-3)23-34/h14-20,23-25,42-43H,7-13,21-22H2,1-6H3