sodium; 2,2-bis(hydroxymethyl)-3-oxidanyl-heptane-1-sulfonate; 2-methyloxirane; oxirane

Systemtic Name: sodium; 2,2-bis(hydroxymethyl)-3-oxidanyl-heptane-1-sulfonate; 2-methyloxirane; oxirane Openeye Name: sodium; 3-hydroxy-2,2-bis(hydroxymethyl)heptane-1-sulfonate; 2-methyloxirane; oxirane CAS Name: sodium; 3-hydroxy-2,2-bis(hydroxymethyl)-1-heptanesulfonate; 2-methyloxirane; oxirane IUPAC Name: sodium; 3-hydroxy-2,2-bis(hydroxymethyl)heptane-1-sulfonate; 2-methyloxirane; oxirane Traditional Name: sodium; ethylene oxide; 3-hydroxy-2,2-dimethylol-heptane-1-sulfonate; propylene oxide Formula: C14H29NaO8S MolecularWeight: 380.43003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CO)(CO)CS(=O)(=O)[O-])O.CC1CO1.C1CO1.[Na+]

Isomeric SMILES

CCCCC(C(CO)(CO)CS(=O)(=O)[O-])O.CC1CO1.C1CO1.[Na+]

InChI

InChI=1S/C9H20O6S.C3H6O.C2H4O.Na/c1-2-3-4-8(12)9(5-10,6-11)7-16(13,14)15;1-3-2-4-3;1-2-3-1;/h8,10-12H,2-7H2,1H3,(H,13,14,15);3H,2H2,1H3;1-2H2;/q;;;+1/p-1