1,3-bis[4-(2-butoxyphenyl)-2-oxidanyl-phenyl]propan-2-one

Systemtic Name: 1,3-bis[4-(2-butoxyphenyl)-2-oxidanyl-phenyl]propan-2-one Openeye Name: 1,3-bis[4-(2-butoxyphenyl)-2-hydroxy-phenyl]propan-2-one CAS Name: 1,3-bis[4-(2-butoxyphenyl)-2-hydroxyphenyl]-2-propanone IUPAC Name: 1,3-bis[4-(2-butoxyphenyl)-2-hydroxyphenyl]propan-2-one Traditional Name: 1,3-bis[4-(2-butoxyphenyl)-2-hydroxy-phenyl]acetone Formula: C35H38O5 MolecularWeight: 538.67322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=CC(=C(C=C2)CC(=O)CC3=C(C=C(C=C3)C4=CC=CC=C4OCCCC)O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=CC(=C(C=C2)CC(=O)CC3=C(C=C(C=C3)C4=CC=CC=C4OCCCC)O)O

InChI

InChI=1S/C35H38O5/c1-3-5-19-39-34-13-9-7-11-30(34)25-15-17-27(32(37)23-25)21-29(36)22-28-18-16-26(24-33(28)38)31-12-8-10-14-35(31)40-20-6-4-2/h7-18,23-24,37-38H,3-6,19-22H2,1-2H3