benzenesulfonic acid; bis[5-[di(propan-2-yl)amino]pentyl] carbonate; hydrate

Systemtic Name: benzenesulfonic acid; bis[5-[di(propan-2-yl)amino]pentyl] carbonate; hydrate Openeye Name: benzenesulfonic acid; bis[5-(diisopropylamino)pentyl] carbonate; hydrate CAS Name: benzenesulfonic acid; carbonic acid bis[5-[di(propan-2-yl)amino]pentyl] ester; hydrate IUPAC Name: benzenesulfonic acid; bis[5-[di(propan-2-yl)amino]pentyl] carbonate; hydrate Traditional Name: besylic acid; carbonic acid bis[5-(diisopropylamino)pentyl] ester; hydrate Formula: C35H62N2O10S2 MolecularWeight: 735.00418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCCOC(=O)OCCCCCN(C(C)C)C(C)C)C(C)C.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.O

Isomeric SMILES

CC(C)N(CCCCCOC(=O)OCCCCCN(C(C)C)C(C)C)C(C)C.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.O

InChI

InChI=1S/C23H48N2O3.2C6H6O3S.H2O/c1-19(2)24(20(3)4)15-11-9-13-17-27-23(26)28-18-14-10-12-16-25(21(5)6)22(7)8;2*7-10(8,9)6-4-2-1-3-5-6;/h19-22H,9-18H2,1-8H3;2*1-5H,(H,7,8,9);1H2