4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(9,10-dioxo-2-anthryl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(9,10-dioxo-2-anthracenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(9,10-diketo-2-anthryl)sulfonyl-methyl-amino]butyric acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17NO6S/c1-20(10-4-7-17(21)22)27(25,26)12-8-9-15-16(11-12)19(24)14-6-3-2-5-13(14)18(15)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,22)