(E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioic acid

Systemtic Name: (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioic acid Openeye Name: (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioic acid CAS Name: (E)-2-hexadecyl-3-(1-sulfopropyl)-2-butenedioic acid IUPAC Name: (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioic acid Traditional Name: (E)-2-cetyl-3-(1-sulfopropyl)but-2-enedioic acid Formula: C23H42O7S MolecularWeight: 462.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=C(C(CC)S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C(=C(\C(CC)S(=O)(=O)O)/C(=O)O)/C(=O)O

InChI

InChI=1S/C23H42O7S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22(24)25)21(23(26)27)20(4-2)31(28,29)30/h20H,3-18H2,1-2H3,(H,24,25)(H,26,27)(H,28,29,30)/b21-19-