ethyl 3-[2,3,4,5,6-pentakis(3-ethoxycarbonylphenyl)phenyl]benzoate

Systemtic Name: ethyl 3-[2,3,4,5,6-pentakis(3-ethoxycarbonylphenyl)phenyl]benzoate Openeye Name: ethyl 3-[2,3,4,5,6-pentakis(3-ethoxycarbonylphenyl)phenyl]benzoate CAS Name: 3-[2,3,4,5,6-pentakis(3-ethoxycarbonylphenyl)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2,3,4,5,6-pentakis(3-ethoxycarbonylphenyl)phenyl]benzoate Traditional Name: 3-[2,3,4,5,6-pentakis(3-carbethoxyphenyl)phenyl]benzoic acid ethyl ester Formula: C60H54O12 MolecularWeight: 967.06356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=C(C(=C(C(=C2C3=CC(=CC=C3)C(=O)OCC)C4=CC(=CC=C4)C(=O)OCC)C5=CC(=CC=C5)C(=O)OCC)C6=CC(=CC=C6)C(=O)OCC)C7=CC(=CC=C7)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=C(C(=C(C(=C2C3=CC(=CC=C3)C(=O)OCC)C4=CC(=CC=C4)C(=O)OCC)C5=CC(=CC=C5)C(=O)OCC)C6=CC(=CC=C6)C(=O)OCC)C7=CC(=CC=C7)C(=O)OCC

InChI

InChI=1S/C60H54O12/c1-7-67-55(61)43-25-13-19-37(31-43)49-50(38-20-14-26-44(32-38)56(62)68-8-2)52(40-22-16-28-46(34-40)58(64)70-10-4)54(42-24-18-30-48(36-42)60(66)72-12-6)53(41-23-17-29-47(35-41)59(65)71-11-5)51(49)39-21-15-27-45(33-39)57(63)69-9-3/h13-36H,7-12H2,1-6H3