6-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-7-ethanoyl-3,5,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid

Systemtic Name: 6-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-7-ethanoyl-3,5,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid Openeye Name: 6-[5-(2-acetamidoethyl)-2-hydroxy-phenyl]-7-acetyl-3,5,8-trihydroxy-9,10-dioxo-anthracene-1,2-dicarboxylic acid CAS Name: 6-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-7-acetyl-3,5,8-trihydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid IUPAC Name: 6-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-7-acetyl-3,5,8-trihydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid Traditional Name: 6-[5-(2-acetamidoethyl)-2-hydroxy-phenyl]-7-acetyl-3,5,8-trihydroxy-9,10-diketo-anthracene-1,2-dicarboxylic acid Formula: C28H21NO12 MolecularWeight: 563.46584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C2C(=C1O)C(=O)C3=C(C(=C(C=C3C2=O)O)C(=O)O)C(=O)O)O)C4=C(C=CC(=C4)CCNC(=O)C)O

Isomeric SMILES

CC(=O)C1=C(C(=C2C(=C1O)C(=O)C3=C(C(=C(C=C3C2=O)O)C(=O)O)C(=O)O)O)C4=C(C=CC(=C4)CCNC(=O)C)O

InChI

InChI=1S/C28H21NO12/c1-9(30)16-17(12-7-11(3-4-14(12)32)5-6-29-10(2)31)25(36)21-22(24(16)35)26(37)18-13(23(21)34)8-15(33)19(27(38)39)20(18)28(40)41/h3-4,7-8,32-33,35-36H,5-6H2,1-2H3,(H,29,31)(H,38,39)(H,40,41)