sodium O4-pentyl O1-sulfo 2-pentylbutanedioate

Systemtic Name: sodium O4-pentyl O1-sulfo 2-pentylbutanedioate Openeye Name: sodium O4-pentyl O1-sulfo 2-pentylbutanedioate CAS Name: sodium 2-pentylbutanedioic acid O4-pentyl ester O1-sulfo ester IUPAC Name: sodium 4-O-pentyl 1-O-sulfo 2-pentylbutanedioate Traditional Name: sodium 2-amylsuccinic acid O4-amyl ester O1-sulfo ester Formula: C14H26NaO7S+ MolecularWeight: 361.40681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OCCCCC)C(=O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCC(CC(=O)OCCCCC)C(=O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C14H26O7S.Na/c1-3-5-7-9-12(14(16)21-22(17,18)19)11-13(15)20-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1