(Z)-4-(dodecylamino)-4-oxidanylidene-3-sulfo-but-2-enoic acid

Systemtic Name: (Z)-4-(dodecylamino)-4-oxidanylidene-3-sulfo-but-2-enoic acid Openeye Name: (Z)-4-(dodecylamino)-4-oxo-3-sulfo-but-2-enoic acid CAS Name: (Z)-4-(dodecylamino)-4-oxo-3-sulfo-2-butenoic acid IUPAC Name: (Z)-4-(dodecylamino)-4-oxo-3-sulfobut-2-enoic acid Traditional Name: (Z)-4-keto-4-(laurylamino)-3-sulfo-but-2-enoic acid Formula: C16H29NO6S MolecularWeight: 363.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C(=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)/C(=C/C(=O)O)/S(=O)(=O)O

InChI

InChI=1S/C16H29NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-17-16(20)14(13-15(18)19)24(21,22)23/h13H,2-12H2,1H3,(H,17,20)(H,18,19)(H,21,22,23)/b14-13-