3,7-bis(anthracen-2-ylcarbonylamino)dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3,7-bis(anthracen-2-ylcarbonylamino)dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3,7-bis(anthracene-2-carbonylamino)dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3,7-bis[[2-anthracenyl(oxo)methyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3,7-bis(anthracene-2-carbonylamino)dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3,7-bis(anthracene-2-carbonylamino)dibenzothiophene-2,8-dicarboxylic acid Formula: C44H26N2O6S MolecularWeight: 710.75204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)NC4=C(C=C5C6=CC(=C(C=C6SC5=C4)NC(=O)C7=CC8=CC9=CC=CC=C9C=C8C=C7)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)NC4=C(C=C5C6=CC(=C(C=C6SC5=C4)NC(=O)C7=CC8=CC9=CC=CC=C9C=C8C=C7)C(=O)O)C(=O)O

InChI

InChI=1S/C44H26N2O6S/c47-41(29-11-9-27-13-23-5-1-3-7-25(23)15-31(27)17-29)45-37-21-39-33(19-35(37)43(49)50)34-20-36(44(51)52)38(22-40(34)53-39)46-42(48)30-12-10-28-14-24-6-2-4-8-26(24)16-32(28)18-30/h1-22H,(H,45,47)(H,46,48)(H,49,50)(H,51,52)