bis[4-[(E)-2-phenylethenyl]phenyl] 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarboxylate

Systemtic Name: bis[4-[(E)-2-phenylethenyl]phenyl] 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarboxylate Openeye Name: bis[4-[(E)-styryl]phenyl] 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarboxylate CAS Name: 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarboxylic acid bis[4-[(E)-2-phenylethenyl]phenyl] ester IUPAC Name: bis[4-[(E)-2-phenylethenyl]phenyl] 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarboxylate Traditional Name: 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarboxylic acid bis[4-[(E)-styryl]phenyl] ester Formula: C62H68O6 MolecularWeight: 909.19972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)OC3=CC=C(C=C3)C=CC4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCCC)C(=O)OC6=CC=C(C=C6)C=CC7=CC=CC=C7

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)OC3=CC=C(C=C3)/C=C/C4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCCC)C(=O)OC6=CC=C(C=C6)/C=C/C7=CC=CC=C7

InChI

InChI=1S/C62H68O6/c1-3-5-7-9-11-19-45-65-53-41-33-51(34-42-53)57-59(61(63)67-55-37-29-49(30-38-55)27-25-47-21-15-13-16-22-47)58(52-35-43-54(44-36-52)66-46-20-12-10-8-6-4-2)60(57)62(64)68-56-39-31-50(32-40-56)28-26-48-23-17-14-18-24-48/h13-18,21-44,57-60H,3-12,19-20,45-46H2,1-2H3/b27-25+,28-26+