4,5-di(hexadecanoyloxy)naphthalene-2,7-disulfonic acid

Systemtic Name: 4,5-di(hexadecanoyloxy)naphthalene-2,7-disulfonic acid Openeye Name: 4,5-di(hexadecanoyloxy)naphthalene-2,7-disulfonic acid CAS Name: 4,5-bis(1-oxohexadecoxy)naphthalene-2,7-disulfonic acid IUPAC Name: 4,5-di(hexadecanoyloxy)naphthalene-2,7-disulfonic acid Traditional Name: 4,5-di(hexadecanoyloxy)naphthalene-2,7-disulfonic acid Formula: C42H68O10S2 MolecularWeight: 797.11332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC(=CC2=CC(=CC(=C21)OC(=O)CCCCCCCCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC(=CC2=CC(=CC(=C21)OC(=O)CCCCCCCCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C42H68O10S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(43)51-38-33-36(53(45,46)47)31-35-32-37(54(48,49)50)34-39(42(35)38)52-41(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3,(H,45,46,47)(H,48,49,50)