[3-[6-carboxyoxy-3-(3,4-dipentoxyphenyl)-2-methoxy-phenyl]phenyl] hydrogen carbonate

Systemtic Name: [3-[6-carboxyoxy-3-(3,4-dipentoxyphenyl)-2-methoxy-phenyl]phenyl] hydrogen carbonate Openeye Name: [3-[6-carboxyoxy-3-(3,4-dipentoxyphenyl)-2-methoxy-phenyl]phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-carboxyoxy-3-(3,4-dipentoxyphenyl)-2-methoxyphenyl]phenyl] ester IUPAC Name: [3-[6-carboxyoxy-3-(3,4-dipentoxyphenyl)-2-methoxyphenyl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-carboxyoxy-3-(3,4-diamoxyphenyl)-2-methoxy-phenyl]phenyl] ester Formula: C31H36O9 MolecularWeight: 552.61214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)OC(=O)O)C3=CC(=CC=C3)OC(=O)O)OC)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)OC(=O)O)C3=CC(=CC=C3)OC(=O)O)OC)OCCCCC

InChI

InChI=1S/C31H36O9/c1-4-6-8-17-37-25-15-13-21(20-27(25)38-18-9-7-5-2)24-14-16-26(40-31(34)35)28(29(24)36-3)22-11-10-12-23(19-22)39-30(32)33/h10-16,19-20H,4-9,17-18H2,1-3H3,(H,32,33)(H,34,35)