3,7-bis[[9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3,7-bis[[9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3,7-bis[(9,10-dioxoanthracene-2-carbonyl)amino]dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3,7-bis[[(9,10-dioxo-2-anthracenyl)-oxomethyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3,7-bis[(9,10-dioxoanthracene-2-carbonyl)amino]dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3,7-bis[(9,10-diketoanthracene-2-carbonyl)amino]dibenzothiophene-2,8-dicarboxylic acid Formula: C44H22N2O10S MolecularWeight: 770.71788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C5C6=CC(=C(C=C6SC5=C4)NC(=O)C7=CC8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C5C6=CC(=C(C=C6SC5=C4)NC(=O)C7=CC8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)C(=O)O)C(=O)O

InChI

InChI=1S/C44H22N2O10S/c47-37-21-5-1-3-7-23(21)39(49)29-13-19(9-11-25(29)37)41(51)45-33-17-35-27(15-31(33)43(53)54)28-16-32(44(55)56)34(18-36(28)57-35)46-42(52)20-10-12-26-30(14-20)40(50)24-8-4-2-6-22(24)38(26)48/h1-18H,(H,45,51)(H,46,52)(H,53,54)(H,55,56)