(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C14H12ClNS.C4H4O4/c15-10-5-6-14-11(8-10)12(16)7-9-3-1-2-4-13(9)17-14;5-3(6)1-2-4(7)8/h1-6,8,12H,7,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-