2-ethyl-6-[(6-methoxy-3,4,5-trisulfonato-oxan-2-yl)methoxy]oxane-3,4,5-trisulfonate

Systemtic Name: 2-ethyl-6-[(6-methoxy-3,4,5-trisulfonato-oxan-2-yl)methoxy]oxane-3,4,5-trisulfonate Openeye Name: 2-ethyl-6-[(6-methoxy-3,4,5-trisulfonato-tetrahydropyran-2-yl)methoxy]tetrahydropyran-3,4,5-trisulfonate CAS Name: 2-ethyl-6-[(6-methoxy-3,4,5-trisulfonato-2-oxanyl)methoxy]oxane-3,4,5-trisulfonate IUPAC Name: 2-ethyl-6-[(6-methoxy-3,4,5-trisulfonatooxan-2-yl)methoxy]oxane-3,4,5-trisulfonate Traditional Name: 2-ethyl-6-[(6-methoxy-3,4,5-trisulfonato-tetrahydropyran-2-yl)methoxy]tetrahydropyran-3,4,5-trisulfonate Formula: C14H20O22S6-6 MolecularWeight: 732.6854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC)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

CCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC)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/C14H26O22S6/c1-3-5-7(37(15,16)17)9(39(21,22)23)12(42(30,31)32)14(35-5)34-4-6-8(38(18,19)20)10(40(24,25)26)11(41(27,28)29)13(33-2)36-6/h5-14H,3-4H2,1-2H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)/p-6