7-(4-ethylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid

Systemtic Name: 7-(4-ethylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 7-(4-ethylphenyl)-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C19H18O4S/c1-2-13-3-5-14(6-4-13)15-7-8-18-17(11-15)12-16(19(20)21)9-10-24(18,22)23/h3-8,11-12H,2,9-10H2,1H3,(H,20,21)