tetrasodium 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxidanylidene-henicosyl)amino]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: tetrasodium 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxidanylidene-henicosyl)amino]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: tetrasodium 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxo-henicosyl)amino]-1-hydroxy-1,4-dioxo-butane-2-sulfonate CAS Name: tetrasodium 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxoheneicosyl)amino]-1-hydroxy-1,4-dioxo-2-butanesulfonate IUPAC Name: tetrasodium 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxohenicosyl)amino]-1-hydroxy-1,4-dioxobutane-2-sulfonate Traditional Name: tetrasodium 4-[(19-carbethoxy-21-ethoxy-21-keto-heneicosyl)amino]-1-hydroxy-1,4-diketo-butane-2-sulfonate Formula: C120H216N4Na4O40S4 MolecularWeight: 2575.22092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])C(=O)OCC.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C30H55NO10S.4Na/c4*1-3-40-28(33)23-25(30(36)41-4-2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-31-27(32)24-26(29(34)35)42(37,38)39;;;;/h4*25-26H,3-24H2,1-2H3,(H,31,32)(H,34,35)(H,37,38,39);;;;/q;;;;4*+1/p-4