4-(2-methyl-3-propan-2-yl-heptan-3-yl)oxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(2-methyl-3-propan-2-yl-heptan-3-yl)oxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1,1-diisopropylpentoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(2-methyl-3-propan-2-ylheptan-3-yl)oxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(2-methyl-3-propan-2-ylheptan-3-yl)oxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-(1,1-diisopropylpentoxy)-4-keto-3-sulfo-butyric acid Formula: C15H28O7S MolecularWeight: 352.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28O7S/c1-6-7-8-15(10(2)3,11(4)5)22-14(18)12(9-13(16)17)23(19,20)21/h10-12H,6-9H2,1-5H3,(H,16,17)(H,19,20,21)