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dimethyl 3,6-diethynylpyrene-1,8-dicarboxylate

dimethyl 3,6-diethynylpyrene-1,8-dicarboxylate

Systemtic Name:dimethyl 3,6-diethynylpyrene-1,8-dicarboxylate
Openeye Name:dimethyl 3,6-diethynylpyrene-1,8-dicarboxylate
CAS Name:3,6-diethynylpyrene-1,8-dicarboxylic acid dimethyl ester
IUPAC Name:dimethyl 3,6-diethynylpyrene-1,8-dicarboxylate
Traditional Name:3,6-diethynylpyrene-1,8-dicarboxylic acid dimethyl ester
Formula: C24H14O4
MolecularWeight: 366.36556
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)C#C)C#C)C(=O)OC


Isomeric SMILES

COC(=O)C1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)C#C)C#C)C(=O)OC


InChI

InChI=1S/C24H14O4/c1-5-13-11-19(23(25)27-3)17-9-10-18-20(24(26)28-4)12-14(6-2)16-8-7-15(13)21(17)22(16)18/h1-2,7-12H,3-4H3


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