sodium O4-hexyl O1-sulfo 2-hexylbutanedioate

Systemtic Name: sodium O4-hexyl O1-sulfo 2-hexylbutanedioate Openeye Name: sodium O4-hexyl O1-sulfo 2-hexylbutanedioate CAS Name: sodium 2-hexylbutanedioic acid O4-hexyl ester O1-sulfo ester IUPAC Name: sodium 4-O-hexyl 1-O-sulfo 2-hexylbutanedioate Traditional Name: sodium 2-hexylsuccinic acid O4-hexyl ester O1-sulfo ester Formula: C16H30NaO7S+ MolecularWeight: 389.45997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)OCCCCCC)C(=O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCC(CC(=O)OCCCCCC)C(=O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H30O7S.Na/c1-3-5-7-9-11-14(16(18)23-24(19,20)21)13-15(17)22-12-10-8-6-4-2;/h14H,3-13H2,1-2H3,(H,19,20,21);/q;+1