4-[2-carboxy-1-[3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]cyclopropyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-carboxy-1-[3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]cyclopropyl]sulfanylbenzoic acid Openeye Name: 4-[2-carboxy-1-[3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]cyclopropyl]sulfanylbenzoic acid CAS Name: 4-[[2-carboxy-1-[3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]cyclopropyl]thio]benzoic acid IUPAC Name: 4-[2-carboxy-1-[3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]cyclopropyl]sulfanylbenzoic acid Traditional Name: 4-[[2-carboxy-1-[3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]cyclopropyl]thio]benzoic acid Formula: C30H30O6S MolecularWeight: 518.6206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(C=CCC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3)SC4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1C(C1(C=CCC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3)SC4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C30H30O6S/c31-28(32)23-12-16-26(17-13-23)37-30(21-27(30)29(33)34)18-6-7-22-10-14-25(15-11-22)36-20-5-4-19-35-24-8-2-1-3-9-24/h1-3,6,8-18,27H,4-5,7,19-21H2,(H,31,32)(H,33,34)