sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 9H-fluorene

Systemtic Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 9H-fluorene Openeye Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; 9H-fluorene CAS Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; 9H-fluorene IUPAC Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; 9H-fluorene Traditional Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; fluorene Formula: C33H47NaO7S MolecularWeight: 610.77685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C1C2=CC=CC=C2C3=CC=CC=C31.[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C1C2=CC=CC=C2C3=CC=CC=C31.[Na+]

InChI

InChI=1S/C20H38O7S.C13H10.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1-8H,9H2;/q;;+1/p-1