2-[2-(1-iodanylethyl)hexyl]-2-sulfo-butanedioic acid

Systemtic Name: 2-[2-(1-iodanylethyl)hexyl]-2-sulfo-butanedioic acid Openeye Name: 2-[2-(1-iodoethyl)hexyl]-2-sulfo-butanedioic acid CAS Name: 2-[2-(1-iodoethyl)hexyl]-2-sulfobutanedioic acid IUPAC Name: 2-[2-(1-iodoethyl)hexyl]-2-sulfobutanedioic acid Traditional Name: 2-[2-(1-iodoethyl)hexyl]-2-sulfo-succinic acid Formula: C12H21IO7S MolecularWeight: 436.26041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CC(=O)O)(C(=O)O)S(=O)(=O)O)C(C)I

Isomeric SMILES

CCCCC(CC(CC(=O)O)(C(=O)O)S(=O)(=O)O)C(C)I

InChI

InChI=1S/C12H21IO7S/c1-3-4-5-9(8(2)13)6-12(11(16)17,7-10(14)15)21(18,19)20/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19,20)