dimethyl-[3-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[3-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[3-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)propyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[3-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)propyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[3-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: dimethyl-[3-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)propyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C25H27NS.C4H4O4/c1-26(2)18-10-17-25(21-12-4-3-5-13-21)22-14-7-6-11-20(22)19-27-24-16-9-8-15-23(24)25;5-3(6)1-2-4(7)8/h3-9,11-16H,10,17-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-