2-ethyl-7-[2-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]ethoxy]-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 2-ethyl-7-[2-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]ethoxy]-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 2-ethyl-7-[2-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]ethoxy]chromane-2-carboxylic acid CAS Name: 2-ethyl-7-[2-[4-(4-methylsulfonylphenoxy)-2-propylphenoxy]ethoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 2-ethyl-7-[2-[4-(4-methylsulfonylphenoxy)-2-propylphenoxy]ethoxy]-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 2-ethyl-7-[2-[4-(4-mesylphenoxy)-2-propyl-phenoxy]ethoxy]chroman-2-carboxylic acid Formula: C30H34O8S MolecularWeight: 554.65116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)OCCOC3=CC4=C(CCC(O4)(CC)C(=O)O)C=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)OCCOC3=CC4=C(CCC(O4)(CC)C(=O)O)C=C3

InChI

InChI=1S/C30H34O8S/c1-4-6-22-19-25(37-23-9-12-26(13-10-23)39(3,33)34)11-14-27(22)36-18-17-35-24-8-7-21-15-16-30(5-2,29(31)32)38-28(21)20-24/h7-14,19-20H,4-6,15-18H2,1-3H3,(H,31,32)