sodium O4-propyl O1-sulfo 2-propylbutanedioate

Systemtic Name: sodium O4-propyl O1-sulfo 2-propylbutanedioate Openeye Name: sodium O4-propyl O1-sulfo 2-propylbutanedioate CAS Name: sodium 2-propylbutanedioic acid O4-propyl ester O1-sulfo ester IUPAC Name: sodium 4-O-propyl 1-O-sulfo 2-propylbutanedioate Traditional Name: sodium 2-propylsuccinic acid O4-propyl ester O1-sulfo ester Formula: C10H18NaO7S+ MolecularWeight: 305.30049

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)OCCC)C(=O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCC(CC(=O)OCCC)C(=O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C10H18O7S.Na/c1-3-5-8(7-9(11)16-6-4-2)10(12)17-18(13,14)15;/h8H,3-7H2,1-2H3,(H,13,14,15);/q;+1