9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid

Systemtic Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Openeye Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]nonanoic acid CAS Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonanoic acid IUPAC Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Traditional Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]pelargonic acid Formula: C27H36O4S MolecularWeight: 456.63734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCC(=O)O)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCC(=O)O)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H36O4S/c1-27(20-12-14-21(30-2)15-13-20)19-32-25-18-22(31-3)16-17-23(25)24(27)10-8-6-4-5-7-9-11-26(28)29/h12-18,24H,4-11,19H2,1-3H3,(H,28,29)