2-ethylhexane-1,1-diol; propane-1,2-diol; propan-2-ol; 2-sulfobutanedioic acid

Systemtic Name: 2-ethylhexane-1,1-diol; propane-1,2-diol; propan-2-ol; 2-sulfobutanedioic acid Openeye Name: 2-ethylhexane-1,1-diol; propane-1,2-diol; propan-2-ol; 2-sulfobutanedioic acid CAS Name: 2-ethylhexane-1,1-diol; propane-1,2-diol; 2-propanol; 2-sulfobutanedioic acid IUPAC Name: 2-ethylhexane-1,1-diol; propane-1,2-diol; propan-2-ol; 2-sulfobutanedioic acid Traditional Name: 2-ethylhexane-1,1-diol; propane-1,2-diol; propan-2-ol; 2-sulfosuccinic acid Formula: C18H40O12S MolecularWeight: 480.568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(O)O.CC(C)O.CC(CO)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)C(O)O.CC(C)O.CC(CO)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H18O2.C4H6O7S.C3H8O2.C3H8O/c1-3-5-6-7(4-2)8(9)10;5-3(6)1-2(4(7)8)12(9,10)11;1-3(5)2-4;1-3(2)4/h7-10H,3-6H2,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);3-5H,2H2,1H3;3-4H,1-2H3