1,4,7,10-tetraoxacyclododec-2-ylmethyl 2-[3-(4-tert-butylphenyl)propoxysulfonyl]benzoate

Systemtic Name: 1,4,7,10-tetraoxacyclododec-2-ylmethyl 2-[3-(4-tert-butylphenyl)propoxysulfonyl]benzoate Openeye Name: 1,4,7,10-tetraoxacyclododec-2-ylmethyl 2-[3-(4-tert-butylphenyl)propoxysulfonyl]benzoate CAS Name: 2-[3-(4-tert-butylphenyl)propoxysulfonyl]benzoic acid 1,4,7,10-tetraoxacyclododec-2-ylmethyl ester IUPAC Name: 1,4,7,10-tetraoxacyclododec-2-ylmethyl 2-[3-(4-tert-butylphenyl)propoxysulfonyl]benzoate Traditional Name: 2-[3-(4-tert-butylphenyl)propoxysulfonyl]benzoic acid 1,4,7,10-tetraoxacyclododec-2-ylmethyl ester Formula: C29H40O9S MolecularWeight: 564.6875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCCOS(=O)(=O)C2=CC=CC=C2C(=O)OCC3COCCOCCOCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCCOS(=O)(=O)C2=CC=CC=C2C(=O)OCC3COCCOCCOCCO3

InChI

InChI=1S/C29H40O9S/c1-29(2,3)24-12-10-23(11-13-24)7-6-14-38-39(31,32)27-9-5-4-8-26(27)28(30)37-22-25-21-35-18-17-33-15-16-34-19-20-36-25/h4-5,8-13,25H,6-7,14-22H2,1-3H3