disodium; 1,2-dibutylnaphthalene; 1,4-dihexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: disodium; 1,2-dibutylnaphthalene; 1,4-dihexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: disodium; 1,2-dibutylnaphthalene; 1,4-dihexoxy-1,4-dioxo-butane-2-sulfonate CAS Name: disodium; 1,2-dibutylnaphthalene; 1,4-dihexoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: disodium; 1,2-dibutylnaphthalene; 1,4-dihexoxy-1,4-dioxobutane-2-sulfonate Traditional Name: disodium; 1,2-dibutylnaphthalene; 1,4-dihexoxy-1,4-diketo-butane-2-sulfonate Formula: C50H82Na2O14S2 MolecularWeight: 1017.28722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].CCCCC1=C(C2=CC=CC=C2C=C1)CCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].CCCCC1=C(C2=CC=CC=C2C=C1)CCCC.[Na+].[Na+]

InChI

InChI=1S/C18H24.2C16H30O7S.2Na/c1-3-5-9-15-13-14-16-10-7-8-12-18(16)17(15)11-6-4-2;2*1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;;/h7-8,10,12-14H,3-6,9,11H2,1-2H3;2*14H,3-13H2,1-2H3,(H,19,20,21);;/q;;;2*+1/p-2