O1-hexyl O4-sulfo 2-ethylbutanedioate

Systemtic Name: O1-hexyl O4-sulfo 2-ethylbutanedioate Openeye Name: O1-hexyl O4-sulfo 2-ethylbutanedioate CAS Name: 2-ethylbutanedioic acid O1-hexyl ester O4-sulfo ester IUPAC Name: 1-O-hexyl 4-O-sulfo 2-ethylbutanedioate Traditional Name: 2-ethylsuccinic acid O1-hexyl ester O4-sulfo ester Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)CC(=O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)C(CC)CC(=O)OS(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-3-5-6-7-8-18-12(14)10(4-2)9-11(13)19-20(15,16)17/h10H,3-9H2,1-2H3,(H,15,16,17)