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9,10-bis(oxidanylidene)-5,8-bis(propylamino)anthracene-2-carboxylic acid

9,10-bis(oxidanylidene)-5,8-bis(propylamino)anthracene-2-carboxylic acid

Systemtic Name:9,10-bis(oxidanylidene)-5,8-bis(propylamino)anthracene-2-carboxylic acid
Openeye Name:9,10-dioxo-5,8-bis(propylamino)anthracene-2-carboxylic acid
CAS Name:9,10-dioxo-5,8-bis(propylamino)-2-anthracenecarboxylic acid
IUPAC Name:9,10-dioxo-5,8-bis(propylamino)anthracene-2-carboxylic acid
Traditional Name:9,10-diketo-5,8-bis(propylamino)anthracene-2-carboxylic acid
Formula: C21H22N2O4
MolecularWeight: 366.41038
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C(=C(C=C1)NCCC)C(=O)C3=C(C2=O)C=CC(=C3)C(=O)O


Isomeric SMILES

CCCNC1=C2C(=C(C=C1)NCCC)C(=O)C3=C(C2=O)C=CC(=C3)C(=O)O


InChI

InChI=1S/C21H22N2O4/c1-3-9-22-15-7-8-16(23-10-4-2)18-17(15)19(24)13-6-5-12(21(26)27)11-14(13)20(18)25/h5-8,11,22-23H,3-4,9-10H2,1-2H3,(H,26,27)


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