10-[2,3-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)cycloprop-2-en-1-ylidene]anthracen-9-one

Systemtic Name: 10-[2,3-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)cycloprop-2-en-1-ylidene]anthracen-9-one Openeye Name: 10-[2,3-bis(3,5-ditert-butyl-4-hydroxy-phenyl)cycloprop-2-en-1-ylidene]anthracen-9-one CAS Name: 10-[2,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)-1-cycloprop-2-enylidene]-9-anthracenone IUPAC Name: 10-[2,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)cycloprop-2-en-1-ylidene]anthracen-9-one Traditional Name: 10-[2,3-bis(3,5-ditert-butyl-4-hydroxy-phenyl)cycloprop-2-en-1-ylidene]anthracen-9-one Formula: C45H50O3 MolecularWeight: 638.8767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C2=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC(=C(C(=C6)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C2=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC(=C(C(=C6)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C45H50O3/c1-42(2,3)31-21-25(22-32(40(31)47)43(4,5)6)35-36(26-23-33(44(7,8)9)41(48)34(24-26)45(10,11)12)38(35)37-27-17-13-15-19-29(27)39(46)30-20-16-14-18-28(30)37/h13-24,47-48H,1-12H3