benzenesulfonic acid; 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-ylmethanol

Systemtic Name: benzenesulfonic acid; 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-ylmethanol Openeye Name: benzenesulfonic acid; 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-ylmethanol CAS Name: benzenesulfonic acid; 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-ylmethanol IUPAC Name: benzenesulfonic acid; 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-ylmethanol Traditional Name: besylic acid; 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-ylmethanol Formula: C25H26N2O7S2 MolecularWeight: 530.61314

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C(C3=CC=CC=C3N=C21)CO.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CNCC2=C(C3=CC=CC=C3N=C21)CO.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O.2C6H6O3S/c16-8-11-9-3-1-2-4-12(9)15-13-5-6-14-7-10(11)13;2*7-10(8,9)6-4-2-1-3-5-6/h1-4,14,16H,5-8H2;2*1-5H,(H,7,8,9)