2-[(E)-dodec-1-enyl]-2-sulfo-butanedioic acid

Systemtic Name: 2-[(E)-dodec-1-enyl]-2-sulfo-butanedioic acid Openeye Name: 2-[(E)-dodec-1-enyl]-2-sulfo-butanedioic acid CAS Name: 2-[(E)-dodec-1-enyl]-2-sulfobutanedioic acid IUPAC Name: 2-[(E)-dodec-1-enyl]-2-sulfobutanedioic acid Traditional Name: 2-[(E)-dodec-1-enyl]-2-sulfo-succinic acid Formula: C16H28O7S MolecularWeight: 364.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC(CC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/C(CC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H28O7S/c1-2-3-4-5-6-7-8-9-10-11-12-16(15(19)20,13-14(17)18)24(21,22)23/h11-12H,2-10,13H2,1H3,(H,17,18)(H,19,20)(H,21,22,23)/b12-11+