dimethyl 1,4,5,6,7,8-hexabutylanthracene-2,3-dicarboxylate

Systemtic Name: dimethyl 1,4,5,6,7,8-hexabutylanthracene-2,3-dicarboxylate Openeye Name: dimethyl 1,4,5,6,7,8-hexabutylanthracene-2,3-dicarboxylate CAS Name: 1,4,5,6,7,8-hexabutylanthracene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,4,5,6,7,8-hexabutylanthracene-2,3-dicarboxylate Traditional Name: 1,4,5,6,7,8-hexabutylanthracene-2,3-dicarboxylic acid dimethyl ester Formula: C42H62O4 MolecularWeight: 630.93928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=CC3=C(C=C21)C(=C(C(=C3CCCC)CCCC)CCCC)CCCC)CCCC)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(C2=CC3=C(C=C21)C(=C(C(=C3CCCC)CCCC)CCCC)CCCC)CCCC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C42H62O4/c1-9-15-21-29-30(22-16-10-2)32(24-18-12-4)36-28-38-34(26-20-14-6)40(42(44)46-8)39(41(43)45-7)33(25-19-13-5)37(38)27-35(36)31(29)23-17-11-3/h27-28H,9-26H2,1-8H3