sodium 4-butoxy-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: sodium 4-butoxy-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: sodium 4-butoxy-1-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: sodium 4-butoxy-1-(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: sodium 4-butoxy-1-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: sodium 4-butoxy-1-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C16H30NaO7S+ MolecularWeight: 389.45997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CC(=O)OCCCC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)C(CC(=O)OCCCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H30O7S.Na/c1-4-7-9-13(6-3)12-23-16(18)14(24(19,20)21)11-15(17)22-10-8-5-2;/h13-14H,4-12H2,1-3H3,(H,19,20,21);/q;+1