2-azulen-4-ylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-azulen-4-ylethyl 4-methylbenzenesulfonate Openeye Name: 2-azulen-4-ylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(4-azulenyl)ethyl ester IUPAC Name: 2-azulen-4-ylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-azulen-4-ylethyl ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C3C2=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C3C2=CC=C3

InChI

InChI=1S/C19H18O3S/c1-15-9-11-18(12-10-15)23(20,21)22-14-13-17-6-3-2-5-16-7-4-8-19(16)17/h2-12H,13-14H2,1H3