7-(2-ethyl-4-methoxycarbonyl-6-methyl-7-oxidanyl-7-oxidanylidene-heptanoyl)oxysulfonyl-3H-indene-1-carboxylic acid

Systemtic Name: 7-(2-ethyl-4-methoxycarbonyl-6-methyl-7-oxidanyl-7-oxidanylidene-heptanoyl)oxysulfonyl-3H-indene-1-carboxylic acid Openeye Name: 7-(2-ethyl-7-hydroxy-4-methoxycarbonyl-6-methyl-7-oxo-heptanoyl)oxysulfonyl-3H-indene-1-carboxylic acid CAS Name: 7-(2-ethyl-7-hydroxy-4-methoxycarbonyl-6-methyl-1,7-dioxoheptoxy)sulfonyl-3H-indene-1-carboxylic acid IUPAC Name: 7-(2-ethyl-7-hydroxy-4-methoxycarbonyl-6-methyl-7-oxoheptanoyl)oxysulfonyl-3H-indene-1-carboxylic acid Traditional Name: 7-(4-carbomethoxy-2-ethyl-7-hydroxy-7-keto-6-methyl-heptanoyl)oxysulfonyl-3H-indene-1-carboxylic acid Formula: C22H26O10S MolecularWeight: 482.50084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)O)C(=O)OC)C(=O)OS(=O)(=O)C1=CC=CC2=C1C(=CC2)C(=O)O

Isomeric SMILES

CCC(CC(CC(C)C(=O)O)C(=O)OC)C(=O)OS(=O)(=O)C1=CC=CC2=C1C(=CC2)C(=O)O

InChI

InChI=1S/C22H26O10S/c1-4-13(11-15(21(27)31-3)10-12(2)19(23)24)22(28)32-33(29,30)17-7-5-6-14-8-9-16(18(14)17)20(25)26/h5-7,9,12-13,15H,4,8,10-11H2,1-3H3,(H,23,24)(H,25,26)