(E,8E)-8-(6H-benzo[c][1]benzothiepin-11-ylidene)-5-oxidanyl-3-oxidanylidene-oct-6-enoic acid

Systemtic Name: (E,8E)-8-(6H-benzo[c][1]benzothiepin-11-ylidene)-5-oxidanyl-3-oxidanylidene-oct-6-enoic acid Openeye Name: (E,8E)-8-(6H-benzo[c][1]benzothiepin-11-ylidene)-5-hydroxy-3-oxo-oct-6-enoic acid CAS Name: (E,8E)-8-(6H-benzo[c][1]benzothiepin-11-ylidene)-5-hydroxy-3-oxo-6-octenoic acid IUPAC Name: (E,8E)-8-(6H-benzo[c][1]benzothiepin-11-ylidene)-5-hydroxy-3-oxooct-6-enoic acid Traditional Name: (E,8E)-8-(6H-benzo[c][1]benzothiepin-11-ylidene)-5-hydroxy-3-keto-oct-6-enoic acid Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CC=CC(CC(=O)CC(=O)O)O)C3=CC=CC=C3S1

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\C=C\C(CC(=O)CC(=O)O)O)/C3=CC=CC=C3S1

InChI

InChI=1S/C22H20O4S/c23-16(12-17(24)13-22(25)26)7-5-10-19-18-8-2-1-6-15(18)14-27-21-11-4-3-9-20(19)21/h1-11,16,23H,12-14H2,(H,25,26)/b7-5+,19-10+