3,7-dimethyl-1-oxidanyl-octane-1,3,6-trisulfonic acid

Systemtic Name: 3,7-dimethyl-1-oxidanyl-octane-1,3,6-trisulfonic acid Openeye Name: 1-hydroxy-3,7-dimethyl-octane-1,3,6-trisulfonic acid CAS Name: 1-hydroxy-3,7-dimethyloctane-1,3,6-trisulfonic acid IUPAC Name: 1-hydroxy-3,7-dimethyloctane-1,3,6-trisulfonic acid Traditional Name: 1-hydroxy-3,7-dimethyl-octane-1,3,6-trisulfonic acid Formula: C10H22O10S3 MolecularWeight: 398.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22O10S3/c1-7(2)8(21(12,13)14)4-5-10(3,23(18,19)20)6-9(11)22(15,16)17/h7-9,11H,4-6H2,1-3H3,(H,12,13,14)(H,15,16,17)(H,18,19,20)