[3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] hydrogen carbonate

Systemtic Name: [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] hydrogen carbonate Openeye Name: [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] hydrogen carbonate CAS Name: carbonic acid [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] ester IUPAC Name: [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] hydrogen carbonate Traditional Name: carbonic acid [3,3-bis(1-hydroxyethyl)-2H-benz[a]anthracen-1-yl] ester Formula: C23H22O5 MolecularWeight: 378.41778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CC(=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32)OC(=O)O)C(C)O)O

Isomeric SMILES

CC(C1(CC(=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32)OC(=O)O)C(C)O)O

InChI

InChI=1S/C23H22O5/c1-13(24)23(14(2)25)11-18-8-7-17-9-15-5-3-4-6-16(15)10-19(17)21(18)20(12-23)28-22(26)27/h3-11,13-14,24-25H,12H2,1-2H3,(H,26,27)