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

Systemtic Name: 1,1-bis(oxidanylidene)-7-[3-(2-propoxyethoxy)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 1,1-dioxo-7-[3-(2-propoxyethoxy)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 1,1-dioxo-7-[3-(2-propoxyethoxy)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 1,1-dioxo-7-[3-(2-propoxyethoxy)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-[3-(2-propoxyethoxy)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C22H24O7S MolecularWeight: 432.48676

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=CC(=C1)OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CCCOCCOC1=CC=CC(=C1)OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C22H24O7S/c1-2-9-27-10-11-28-18-4-3-5-19(15-18)29-20-6-7-21-17(14-20)13-16(22(23)24)8-12-30(21,25)26/h3-7,13-15H,2,8-12H2,1H3,(H,23,24)