2-methyl-5-[4-(4-methyl-4-sulfo-pentanoyl)phenyl]-5-oxidanylidene-pentane-2-sulfonic acid

Systemtic Name: 2-methyl-5-[4-(4-methyl-4-sulfo-pentanoyl)phenyl]-5-oxidanylidene-pentane-2-sulfonic acid Openeye Name: 2-methyl-5-[4-(4-methyl-4-sulfo-pentanoyl)phenyl]-5-oxo-pentane-2-sulfonic acid CAS Name: 2-methyl-5-[4-(4-methyl-1-oxo-4-sulfopentyl)phenyl]-5-oxo-2-pentanesulfonic acid IUPAC Name: 2-methyl-5-[4-(4-methyl-4-sulfopentanoyl)phenyl]-5-oxopentane-2-sulfonic acid Traditional Name: 5-keto-2-methyl-5-[4-(4-methyl-4-sulfo-pentanoyl)phenyl]pentane-2-sulfonic acid Formula: C18H26O8S2 MolecularWeight: 434.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)C1=CC=C(C=C1)C(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCC(=O)C1=CC=C(C=C1)C(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H26O8S2/c1-17(2,27(21,22)23)11-9-15(19)13-5-7-14(8-6-13)16(20)10-12-18(3,4)28(24,25)26/h5-8H,9-12H2,1-4H3,(H,21,22,23)(H,24,25,26)