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sodium O1-sulfo O4-tridecyl 2-tridecylbutanedioate

sodium O1-sulfo O4-tridecyl 2-tridecylbutanedioate

Systemtic Name:sodium O1-sulfo O4-tridecyl 2-tridecylbutanedioate
Openeye Name:sodium O1-sulfo O4-tridecyl 2-tridecylbutanedioate
CAS Name:sodium 2-tridecylbutanedioic acid O1-sulfo ester O4-tridecyl ester
IUPAC Name:sodium 1-O-sulfo 4-O-tridecyl 2-tridecylbutanedioate
Traditional Name:sodium 2-tridecylsuccinic acid O1-sulfo ester O4-tridecyl ester
Formula: C30H58NaO7S+
MolecularWeight: 585.83209
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)OCCCCCCCCCCCCC)C(=O)OS(=O)(=O)O.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)OCCCCCCCCCCCCC)C(=O)OS(=O)(=O)O.[Na+]


InChI

InChI=1S/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(30(32)37-38(33,34)35)27-29(31)36-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1


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