2-hydroxyethyl 3-[(2Z)-2-(5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-benzotriazol-2-ium-1-yl]propanoate

Systemtic Name: 2-hydroxyethyl 3-[(2Z)-2-(5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-benzotriazol-2-ium-1-yl]propanoate Openeye Name: 2-hydroxyethyl 3-[(2Z)-2-(5-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3H-benzotriazol-2-ium-1-yl]propanoate CAS Name: 3-[(2Z)-2-(5-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)-3H-benzotriazol-2-ium-1-yl]propanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-[(2Z)-2-(5-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-benzotriazol-2-ium-1-yl]propanoate Traditional Name: 3-[(2Z)-2-(5-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-3H-benzotriazol-2-ium-1-yl]propionic acid 2-hydroxyethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=[N+]2NC3=CC=CC=C3N2CCC(=O)OCCO)C1=O

Isomeric SMILES

CC(C)(C)C1=CC=C/C(=[N+]/2\NC3=CC=CC=C3N2CCC(=O)OCCO)/C1=O

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)15-7-6-10-18(20(15)27)24-22-16-8-4-5-9-17(16)23(24)12-11-19(26)28-14-13-25/h4-10,25H,11-14H2,1-3H3/p+1