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

Systemtic Name: 1,1-bis(oxidanylidene)-7-[3-(3-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 1,1-dioxo-7-[3-(3-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 1,1-dioxo-7-[3-(3-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 1,1-dioxo-7-[3-(3-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-[3-(3-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C23H26O6S MolecularWeight: 430.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)CCCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)CCCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C23H26O6S/c1-2-11-28-20-7-3-5-17(14-20)6-4-12-29-21-8-9-22-19(16-21)15-18(23(24)25)10-13-30(22,26)27/h3,5,7-9,14-16H,2,4,6,10-13H2,1H3,(H,24,25)