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dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate

dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate

Systemtic Name:dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate
Openeye Name:dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate
CAS Name:1,4,6,13-tetrabutylpentacene-2,3-dicarboxylic acid dimethyl ester
IUPAC Name:dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate
Traditional Name:1,4,6,13-tetrabutylpentacene-2,3-dicarboxylic acid dimethyl ester
Formula: C42H50O4
MolecularWeight: 618.844
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C3C(=CC2=C(C4=CC5=CC=CC=C5C=C41)CCCC)C(=C(C(=C3CCCC)C(=O)OC)C(=O)OC)CCCC


Isomeric SMILES

CCCCC1=C2C=C3C(=CC2=C(C4=CC5=CC=CC=C5C=C41)CCCC)C(=C(C(=C3CCCC)C(=O)OC)C(=O)OC)CCCC


InChI

InChI=1S/C42H50O4/c1-7-11-19-29-33-23-27-17-15-16-18-28(27)24-34(33)30(20-12-8-2)36-26-38-32(22-14-10-4)40(42(44)46-6)39(41(43)45-5)31(21-13-9-3)37(38)25-35(29)36/h15-18,23-26H,7-14,19-22H2,1-6H3


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