sodium; 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate; 3-methylphenol

Systemtic Name: sodium; 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate; 3-methylphenol Openeye Name: sodium; 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate; m-cresol CAS Name: sodium; 1,4-dioctoxy-1,4-dioxo-2-butanesulfonate; 3-methylphenol IUPAC Name: sodium; 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate; 3-methylphenol Traditional Name: sodium; 1,4-diketo-1,4-dioctoxy-butane-2-sulfonate; m-cresol Formula: C27H45NaO8S MolecularWeight: 552.69617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].CC1=CC(=CC=C1)O.[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].CC1=CC(=CC=C1)O.[Na+]

InChI

InChI=1S/C20H38O7S.C7H8O.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;1-6-3-2-4-7(8)5-6;/h18H,3-17H2,1-2H3,(H,23,24,25);2-5,8H,1H3;/q;;+1/p-1