13-pyridin-3-yltridecyl 4-methylbenzenesulfonate

Systemtic Name: 13-pyridin-3-yltridecyl 4-methylbenzenesulfonate Openeye Name: 13-(3-pyridyl)tridecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 13-(3-pyridinyl)tridecyl ester IUPAC Name: 13-pyridin-3-yltridecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 13-(3-pyridyl)tridecyl ester Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCC2=CN=CC=C2

InChI

InChI=1S/C25H37NO3S/c1-23-16-18-25(19-17-23)30(27,28)29-21-12-10-8-6-4-2-3-5-7-9-11-14-24-15-13-20-26-22-24/h13,15-20,22H,2-12,14,21H2,1H3