ATTO 590 meta-isomer(1+) (Q27123611)

CHEBI:52799 (English)

6 October 2016

chemical formula

C₃₇H₃₉N₂O₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN1C2=CC3=C(C=C2C(=CC1(C)C)C)C(=C4C=C5C(=CC([N+](=C5C=C4O3)CC)(C)C)C)C6=C(C=C(C=C6)C(=O)O)C(=O)O

1 reference

CHEBI:52799 (English)

InChI=1S/C37H38N2O5/c1-9-38-29-16-31-27(14-24(29)20(3)18-36(38,5)6)33(23-12-11-22(34(40)41)13-26(23)35(42)43)28-15-25-21(4)19-37(7,8)39(10-2)30(25)17-32(28)44-31/h11-19H,9-10H2,1-8H3,(H-,40,41,42,43)/p+1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:52799 (English)

USDJZBOGKDODDO-UHFFFAOYSA-O

6 October 2016

InChIKey

2 references

CHEBI:52799 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-(2,4-Dicarboxyphenyl)-1,11-diethyl-2,2,4,8,10,10-hexamethyl-10,11-dihydro-2H-pyrido[3',2':6,7]chromeno[3,2-g]quinolin-1-ium (English)

6 October 2016

2 references

CHEBI:52799 (English)

matched by identifier from

6 October 2016

InChIKey

USDJZBOGKDODDO-UHFFFAOYSA-O

ChEBI ID

52799

mapping relation type

2 references

ATTO 590 meta-isomer(1+) (English)