sodium 4-(5-iodanylpentadecan-6-yloxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-(5-iodanylpentadecan-6-yloxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-[1-(1-iodopentyl)decoxy]-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-(5-iodopentadecan-6-yloxy)-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-(5-iodopentadecan-6-yloxy)-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-[1-(1-iodopentyl)decoxy]-4-keto-3-sulfo-butyrate Formula: C19H34INaO7S MolecularWeight: 556.4283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(CCCC)I)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(C(CCCC)I)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H35IO7S.Na/c1-3-5-7-8-9-10-11-13-16(15(20)12-6-4-2)27-19(23)17(14-18(21)22)28(24,25)26;/h15-17H,3-14H2,1-2H3,(H,21,22)(H,24,25,26);/q;+1/p-1