1-iodyl-3,4,5,6-tetraoctyl-naphthalene-2-carboxylic acid

Systemtic Name: 1-iodyl-3,4,5,6-tetraoctyl-naphthalene-2-carboxylic acid Openeye Name: 1-iodyl-3,4,5,6-tetraoctyl-naphthalene-2-carboxylic acid CAS Name: 1-iodyl-3,4,5,6-tetraoctyl-2-naphthalenecarboxylic acid IUPAC Name: 1-iodyl-3,4,5,6-tetraoctylnaphthalene-2-carboxylic acid Traditional Name: 1-iodyl-3,4,5,6-tetraoctyl-2-naphthoic acid Formula: C43H71IO4 MolecularWeight: 778.92591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C2=C(C=C1)C(=C(C(=C2CCCCCCCC)CCCCCCCC)C(=O)O)I(=O)=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C2=C(C=C1)C(=C(C(=C2CCCCCCCC)CCCCCCCC)C(=O)O)I(=O)=O)CCCCCCCC

InChI

InChI=1S/C43H71IO4/c1-5-9-13-17-21-25-29-35-33-34-39-40(36(35)30-26-22-18-14-10-6-2)37(31-27-23-19-15-11-7-3)38(32-28-24-20-16-12-8-4)41(43(45)46)42(39)44(47)48/h33-34H,5-32H2,1-4H3,(H,45,46)