1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-propyl-6-sulfooxy-anthracene-2-carboxylic acid

Systemtic Name: 1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-propyl-6-sulfooxy-anthracene-2-carboxylic acid Openeye Name: 1,8-dihydroxy-9,10-dioxo-3-propyl-6-sulfooxy-anthracene-2-carboxylic acid CAS Name: 1,8-dihydroxy-9,10-dioxo-3-propyl-6-sulfooxy-2-anthracenecarboxylic acid IUPAC Name: 1,8-dihydroxy-9,10-dioxo-3-propyl-6-sulfooxyanthracene-2-carboxylic acid Traditional Name: 1,8-dihydroxy-9,10-diketo-3-propyl-6-sulfoxy-anthracene-2-carboxylic acid Formula: C18H14O10S MolecularWeight: 422.36276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OS(=O)(=O)O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OS(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C18H14O10S/c1-2-3-7-4-9-14(16(21)12(7)18(23)24)17(22)13-10(15(9)20)5-8(6-11(13)19)28-29(25,26)27/h4-6,19,21H,2-3H2,1H3,(H,23,24)(H,25,26,27)