sodium; methanal; 2-nonylphenol; 4-oxidanyl-4-oxidanylidene-2-sulfo-butanoate; oxirane

Systemtic Name: sodium; methanal; 2-nonylphenol; 4-oxidanyl-4-oxidanylidene-2-sulfo-butanoate; oxirane Openeye Name: sodium; formaldehyde; 4-hydroxy-4-oxo-2-sulfo-butanoate; 2-nonylphenol; oxirane CAS Name: sodium; formaldehyde; 4-hydroxy-4-oxo-2-sulfobutanoate; 2-nonylphenol; oxirane IUPAC Name: sodium; formaldehyde; 4-hydroxy-4-oxo-2-sulfobutanoate; 2-nonylphenol; oxirane Traditional Name: sodium; ethylene oxide; formaldehyde; 4-hydroxy-4-keto-2-sulfo-butyrate; 2-nonylphenol Formula: C22H35NaO10S MolecularWeight: 514.56207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1O.C=O.C1CO1.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1O.C=O.C1CO1.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C15H24O.C4H6O7S.C2H4O.CH2O.Na/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-3(6)1-2(4(7)8)12(9,10)11;1-2-3-1;1-2;/h9-10,12-13,16H,2-8,11H2,1H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);1-2H2;1H2;/q;;;;+1/p-1