lithium 2-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: lithium 2-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: lithium 2-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: lithium 4-methylbenzenesulfonic acid 2-[5-(1-benzotriazolylmethyl)-2-methyl-3-phenyl-1-pyrrolyl]ethyl ester IUPAC Name: lithium 2-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenylpyrrol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: lithium 4-methylbenzenesulfonic acid 2-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]ethyl ester Formula: C27H25LiN4O3S MolecularWeight: 492.5184

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=C(C=C2[CH-]N3C4=CC=CC=C4N=N3)C5=CC=CC=C5)C

Isomeric SMILES

[Li+].CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=C(C=C2[CH-]N3C4=CC=CC=C4N=N3)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N4O3S.Li/c1-20-12-14-24(15-13-20)35(32,33)34-17-16-30-21(2)25(22-8-4-3-5-9-22)18-23(30)19-31-27-11-7-6-10-26(27)28-29-31;/h3-15,18-19H,16-17H2,1-2H3;/q-1;+1