icosane-1,1,1,2,2,3,3,4,4,5-decasulfonate

Systemtic Name: icosane-1,1,1,2,2,3,3,4,4,5-decasulfonate Openeye Name: icosane-1,1,1,2,2,3,3,4,4,5-decasulfonate CAS Name: eicosane-1,1,1,2,2,3,3,4,4,5-decasulfonate IUPAC Name: icosane-1,1,1,2,2,3,3,4,4,5-decasulfonate Traditional Name: eicosane-1,1,1,2,2,3,3,4,4,5-decasulfonate Formula: C20H32O30S10-10 MolecularWeight: 1073.10008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C(C(C(S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C(C(C(S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C20H42O30S10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(51(21,22)23)17(52(24,25)26,53(27,28)29)18(54(30,31)32,55(33,34)35)19(56(36,37)38,57(39,40)41)20(58(42,43)44,59(45,46)47)60(48,49)50/h16H,2-15H2,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/p-10