4-[bis(4-ethynyl-3-methyl-phenyl)-[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-ethynyl-2-methyl-benzene

Systemtic Name: 4-[bis(4-ethynyl-3-methyl-phenyl)-[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-ethynyl-2-methyl-benzene Openeye Name: 4-[bis(4-ethynyl-3-methyl-phenyl)-[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-ethynyl-2-methyl-benzene CAS Name: 4-[bis(4-ethynyl-3-methylphenyl)-[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-ethynyl-2-methylbenzene IUPAC Name: 4-[bis(4-ethynyl-3-methylphenyl)-[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-ethynyl-2-methylbenzene Traditional Name: 4-[bis(4-ethynyl-3-methyl-phenyl)-[4-(4-nitrobenzyl)oxyphenyl]methyl]-1-ethynyl-2-methyl-benzene Formula: C41H31NO3 MolecularWeight: 585.68974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC(=C(C=C4)C#C)C)C5=CC(=C(C=C5)C#C)C)C#C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC(=C(C=C4)C#C)C)C5=CC(=C(C=C5)C#C)C)C#C

InChI

InChI=1S/C41H31NO3/c1-7-32-12-15-36(24-28(32)4)41(37-16-13-33(8-2)29(5)25-37,38-17-14-34(9-3)30(6)26-38)35-18-22-40(23-19-35)45-27-31-10-20-39(21-11-31)42(43)44/h1-3,10-26H,27H2,4-6H3