3,7-bis(1-benzothiophen-2-ylcarbonylamino)dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3,7-bis(1-benzothiophen-2-ylcarbonylamino)dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3,7-bis(benzothiophene-2-carbonylamino)dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3,7-bis[[1-benzothiophen-2-yl(oxo)methyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3,7-bis(1-benzothiophene-2-carbonylamino)dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3,7-bis(benzothiophene-2-carbonylamino)dibenzothiophene-2,8-dicarboxylic acid Formula: C32H18N2O6S3 MolecularWeight: 622.69012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=C(C=C4C5=CC(=C(C=C5SC4=C3)NC(=O)C6=CC7=CC=CC=C7S6)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=C(C=C4C5=CC(=C(C=C5SC4=C3)NC(=O)C6=CC7=CC=CC=C7S6)C(=O)O)C(=O)O

InChI

InChI=1S/C32H18N2O6S3/c35-29(27-9-15-5-1-3-7-23(15)41-27)33-21-13-25-17(11-19(21)31(37)38)18-12-20(32(39)40)22(14-26(18)43-25)34-30(36)28-10-16-6-2-4-8-24(16)42-28/h1-14H,(H,33,35)(H,34,36)(H,37,38)(H,39,40)