5,6-bis(4-ethoxyphenyl)perylene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 5,6-bis(4-ethoxyphenyl)perylene-1,2,3,4-tetracarboxylic acid Openeye Name: 5,6-bis(4-ethoxyphenyl)perylene-1,2,3,4-tetracarboxylic acid CAS Name: 5,6-bis(4-ethoxyphenyl)perylene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5,6-bis(4-ethoxyphenyl)perylene-1,2,3,4-tetracarboxylic acid Traditional Name: 5,6-bis(p-phenetyl)perylene-1,2,3,4-tetracarboxylic acid Formula: C40H28O10 MolecularWeight: 668.64432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=C3C4=C2C5=CC=CC6=C5C(=CC=C6)C4=C(C(=C3C(=O)O)C(=O)O)C(=O)O)C(=O)O)C7=CC=C(C=C7)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=C3C4=C2C5=CC=CC6=C5C(=CC=C6)C4=C(C(=C3C(=O)O)C(=O)O)C(=O)O)C(=O)O)C7=CC=C(C=C7)OCC

InChI

InChI=1S/C40H28O10/c1-3-49-22-15-11-20(12-16-22)27-28(21-13-17-23(18-14-21)50-4-2)33(37(41)42)32-31-29(27)24-9-5-7-19-8-6-10-25(26(19)24)30(31)34(38(43)44)36(40(47)48)35(32)39(45)46/h5-18H,3-4H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)