8-[(E)-2-[4-[4-[2,6-bis(chloranyl)phenoxy]butoxy]phenyl]ethenyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[(E)-2-[4-[4-[2,6-bis(chloranyl)phenoxy]butoxy]phenyl]ethenyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[(E)-2-[4-[4-(2,6-dichlorophenoxy)butoxy]phenyl]vinyl]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[(E)-2-[4-[4-(2,6-dichlorophenoxy)butoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(E)-2-[4-[4-(2,6-dichlorophenoxy)butoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(E)-2-[4-[4-(2,6-dichlorophenoxy)butoxy]phenyl]vinyl]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H31Cl2NO7 MolecularWeight: 600.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)C=CC3=CC=C(C=C3)OCCCCOC4=C(C=CC=C4Cl)Cl)C(=O)O

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)/C=C/C3=CC=C(C=C3)OCCCCOC4=C(C=CC=C4Cl)Cl)C(=O)O

InChI

InChI=1S/C31H31Cl2NO7/c32-24-7-4-8-25(33)30(24)40-19-2-1-18-39-23-15-12-21(13-16-23)11-14-22-6-3-9-26-29(22)41-27(31(37)38)20-34(26)17-5-10-28(35)36/h3-4,6-9,11-16,27H,1-2,5,10,17-20H2,(H,35,36)(H,37,38)/b14-11+