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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.Na/c1-12(2)7-5-9-22-15(17)11-14(24(19,20)21)16(18)23-10-6-8-13(3)4;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1