4-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-6-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-6-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-6-yl)-4-oxo-butanoic acid CAS Name: 4-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-6-yl)-4-oxobutanoic acid IUPAC Name: 4-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-6-yl)-4-oxobutanoic acid Traditional Name: 4-(8-chloro-11-keto-6H-benzo[c][1]benzothiepin-6-yl)-4-keto-butyric acid Formula: C18H13ClO4S MolecularWeight: 360.81142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3)Cl)C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3)Cl)C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C18H13ClO4S/c19-10-5-6-11-13(9-10)18(14(20)7-8-16(21)22)24-15-4-2-1-3-12(15)17(11)23/h1-6,9,18H,7-8H2,(H,21,22)