[4-[(Z)-2-[4-[hexadecoxy(oxidanyl)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate; sodium

Systemtic Name: [4-[(Z)-2-[4-[hexadecoxy(oxidanyl)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate; sodium Openeye Name: [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]vinyl]phenyl] hexadecyl hydrogen phosphate; sodium CAS Name: [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate; sodium IUPAC Name: [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate; sodium Traditional Name: cetyl [4-[(Z)-2-[4-[cetyloxy(hydroxy)phosphoryl]oxyphenyl]vinyl]phenyl] hydrogen phosphate; sodium Formula: C46H78NaO8P2 MolecularWeight: 844.044012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)(O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OP(=O)(O)OCCCCCCCCCCCCCCCC.[Na]

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OC1=CC=C(C=C1)/C=C\C2=CC=C(C=C2)OP(=O)(O)OCCCCCCCCCCCCCCCC.[Na]

InChI

InChI=1S/C46H78O8P2.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41-51-55(47,48)53-45-37-33-43(34-38-45)31-32-44-35-39-46(40-36-44)54-56(49,50)52-42-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-40H,3-30,41-42H2,1-2H3,(H,47,48)(H,49,50);/b32-31-;