2-[2,7-ditert-butyl-5-(carboxymethyl)-9,9-dimethyl-xanthen-4-yl]ethanoic acid

Systemtic Name: 2-[2,7-ditert-butyl-5-(carboxymethyl)-9,9-dimethyl-xanthen-4-yl]ethanoic acid Openeye Name: 2-[2,7-ditert-butyl-5-(carboxymethyl)-9,9-dimethyl-xanthen-4-yl]acetic acid CAS Name: 2-[2,7-ditert-butyl-5-(carboxymethyl)-9,9-dimethyl-4-xanthenyl]acetic acid IUPAC Name: 2-[2,7-ditert-butyl-5-(carboxymethyl)-9,9-dimethylxanthen-4-yl]acetic acid Traditional Name: 2-[2,7-ditert-butyl-5-(carboxymethyl)-9,9-dimethyl-xanthen-4-yl]acetic acid Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)CC(=O)O)CC(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)CC(=O)O)CC(=O)O)C(C)(C)C)C

InChI

InChI=1S/C27H34O5/c1-25(2,3)17-9-15(11-21(28)29)23-19(13-17)27(7,8)20-14-18(26(4,5)6)10-16(12-22(30)31)24(20)32-23/h9-10,13-14H,11-12H2,1-8H3,(H,28,29)(H,30,31)