tetramethyl 6,13-dimethoxy-1,4,8,11-tetrapropyl-pentacene-2,3,9,10-tetracarboxylate

Systemtic Name: tetramethyl 6,13-dimethoxy-1,4,8,11-tetrapropyl-pentacene-2,3,9,10-tetracarboxylate Openeye Name: tetramethyl 6,13-dimethoxy-1,4,8,11-tetrapropyl-pentacene-2,3,9,10-tetracarboxylate CAS Name: 6,13-dimethoxy-1,4,8,11-tetrapropylpentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 6,13-dimethoxy-1,4,8,11-tetrapropylpentacene-2,3,9,10-tetracarboxylate Traditional Name: 6,13-dimethoxy-1,4,8,11-tetrapropyl-pentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester Formula: C44H50O10 MolecularWeight: 738.8618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C2=CC3=C(C=C21)C(=C4C=C5C(=CC4=C3OC)C(=C(C(=C5CCC)C(=O)OC)C(=O)OC)CCC)OC)CCC)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(C2=CC3=C(C=C21)C(=C4C=C5C(=CC4=C3OC)C(=C(C(=C5CCC)C(=O)OC)C(=O)OC)CCC)OC)CCC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C44H50O10/c1-11-15-23-27-19-31-32(20-28(27)24(16-12-2)36(42(46)52-8)35(23)41(45)51-7)40(50-6)34-22-30-26(18-14-4)38(44(48)54-10)37(43(47)53-9)25(17-13-3)29(30)21-33(34)39(31)49-5/h19-22H,11-18H2,1-10H3