dimethyl 8,9,10,11-tetraethyl-1,4,6,13-tetrapropyl-pentacene-2,3-dicarboxylate

Systemtic Name: dimethyl 8,9,10,11-tetraethyl-1,4,6,13-tetrapropyl-pentacene-2,3-dicarboxylate Openeye Name: dimethyl 8,9,10,11-tetraethyl-1,4,6,13-tetrapropyl-pentacene-2,3-dicarboxylate CAS Name: 8,9,10,11-tetraethyl-1,4,6,13-tetrapropylpentacene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 8,9,10,11-tetraethyl-1,4,6,13-tetrapropylpentacene-2,3-dicarboxylate Traditional Name: 8,9,10,11-tetraethyl-1,4,6,13-tetrapropyl-pentacene-2,3-dicarboxylic acid dimethyl ester Formula: C46H58O4 MolecularWeight: 674.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CCC)C(=O)OC)C(=O)OC)CCC)CCC)C(=C(C(=C3CC)CC)CC)CC

Isomeric SMILES

CCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CCC)C(=O)OC)C(=O)OC)CCC)CCC)C(=C(C(=C3CC)CC)CC)CC

InChI

InChI=1S/C46H58O4/c1-11-19-31-37-23-35-29(17-7)27(15-5)28(16-6)30(18-8)36(35)24-38(37)32(20-12-2)40-26-42-34(22-14-4)44(46(48)50-10)43(45(47)49-9)33(21-13-3)41(42)25-39(31)40/h23-26H,11-22H2,1-10H3