sodium 4-[4-(3-ethoxycarbonyl-5-methoxycarbonyl-3,5-dimethyl-heptan-2-yl)phenoxy]butane-1-sulfonate

Systemtic Name: sodium 4-[4-(3-ethoxycarbonyl-5-methoxycarbonyl-3,5-dimethyl-heptan-2-yl)phenoxy]butane-1-sulfonate Openeye Name: sodium 4-[4-(2-ethoxycarbonyl-4-methoxycarbonyl-1,2,4-trimethyl-hexyl)phenoxy]butane-1-sulfonate CAS Name: sodium 4-[4-(3-ethoxycarbonyl-5-methoxycarbonyl-3,5-dimethylheptan-2-yl)phenoxy]-1-butanesulfonate IUPAC Name: sodium 4-[4-(3-ethoxycarbonyl-5-methoxycarbonyl-3,5-dimethylheptan-2-yl)phenoxy]butane-1-sulfonate Traditional Name: sodium 4-[4-(2-carbethoxy-4-carbomethoxy-1,2,4-trimethyl-hexyl)phenoxy]butane-1-sulfonate Formula: C24H37NaO8S MolecularWeight: 508.60055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C(=O)OCC)C(=O)OC.[Na+]

Isomeric SMILES

CCC(C)(CC(C)(C(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C(=O)OCC)C(=O)OC.[Na+]

InChI

InChI=1S/C24H38O8S.Na/c1-7-23(4,21(25)30-6)17-24(5,22(26)31-8-2)18(3)19-11-13-20(14-12-19)32-15-9-10-16-33(27,28)29;/h11-14,18H,7-10,15-17H2,1-6H3,(H,27,28,29);/q;+1/p-1