benzenesulfonic acid; 3-(2-methyl-1H-indol-3-yl)propan-1-ol

Systemtic Name: benzenesulfonic acid; 3-(2-methyl-1H-indol-3-yl)propan-1-ol Openeye Name: benzenesulfonic acid; 3-(2-methyl-1H-indol-3-yl)propan-1-ol CAS Name: benzenesulfonic acid; 3-(2-methyl-1H-indol-3-yl)-1-propanol IUPAC Name: benzenesulfonic acid; 3-(2-methyl-1H-indol-3-yl)propan-1-ol Traditional Name: besylic acid; 3-(2-methyl-1H-indol-3-yl)propan-1-ol Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CCCO.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CCCO.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H15NO.C6H6O3S/c1-9-10(6-4-8-14)11-5-2-3-7-12(11)13-9;7-10(8,9)6-4-2-1-3-5-6/h2-3,5,7,13-14H,4,6,8H2,1H3;1-5H,(H,7,8,9)