[2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-[[(1S)-1-methylheptyl]amino]-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-keto-2-[[(1S)-1-methylheptyl]amino]ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H27NO5/c1-3-4-5-6-10-16(2)26-21(27)15-31-25(30)20-14-9-13-19-22(20)24(29)18-12-8-7-11-17(18)23(19)28/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,26,27)/t16-/m0/s1