sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; 1,8-dihydroxyanthracene-9,10-dione CAS Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; 1,8-dihydroxyanthracene-9,10-dione IUPAC Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; 1,8-dihydroxyanthracene-9,10-dione Traditional Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; 1,8-dihydroxy-9,10-anthraquinone Formula: C34H45NaO11S MolecularWeight: 684.76927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O.[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O.[Na+]

InChI

InChI=1S/C20H38O7S.C14H8O4.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;15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1-6,15-16H;/q;;+1/p-1