1-(3-methylpentyl)-3,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 1-(3-methylpentyl)-3,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 3,8-dihydroxy-1-(3-methylpentyl)-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 3,8-dihydroxy-1-(3-methylpentyl)-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 3,8-dihydroxy-1-(3-methylpentyl)-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 3,8-dihydroxy-9,10-diketo-1-(3-methylpentyl)anthracene-2-carboxylic acid Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

Isomeric SMILES

CCC(C)CCC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

InChI

InChI=1S/C21H20O6/c1-3-10(2)7-8-11-16-13(9-15(23)18(11)21(26)27)19(24)12-5-4-6-14(22)17(12)20(16)25/h4-6,9-10,22-23H,3,7-8H2,1-2H3,(H,26,27)