2,3-bis(12-decyltricosan-12-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(12-decyltricosan-12-yl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(1-decyl-1-undecyl-dodecyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(12-decyltricosan-12-yl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(12-decyltricosan-12-yl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(1-decyl-1-undecyl-dodecyl)-2-sulfo-succinic acid Formula: C70H138O7S MolecularWeight: 1123.90552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCCC)C(C(=O)O)C(C(=O)O)(C(CCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCCC)C(C(=O)O)C(C(=O)O)(C(CCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C70H138O7S/c1-7-13-19-25-31-37-42-48-54-60-68(59-53-47-41-35-29-23-17-11-5,61-55-49-43-38-32-26-20-14-8-2)65(66(71)72)70(67(73)74,78(75,76)77)69(62-56-50-44-36-30-24-18-12-6,63-57-51-45-39-33-27-21-15-9-3)64-58-52-46-40-34-28-22-16-10-4/h65H,7-64H2,1-6H3,(H,71,72)(H,73,74)(H,75,76,77)