ATTO 565 meta-isomer(1+) (Q27123608)

CHEBI:52796 (English)

6 October 2016

chemical formula

C₃₁H₃₁N₂O₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN1CCCC2=C1C=C3C(=C2)C(=C4C=C5CCC[N+](=C5C=C4O3)CC)C6=C(C=C(C=C6)C(=O)O)C(=O)O

1 reference

CHEBI:52796 (English)

InChI=1S/C31H30N2O5/c1-3-32-11-5-7-18-13-23-27(16-25(18)32)38-28-17-26-19(8-6-12-33(26)4-2)14-24(28)29(23)21-10-9-20(30(34)35)15-22(21)31(36)37/h9-10,13-17H,3-8,11-12H2,1-2H3,(H-,34,35,36,37)/p+1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:52796 (English)

JSUSGWOUEVOMBB-UHFFFAOYSA-O

6 October 2016

InChIKey

2 references

CHEBI:52796 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-(2,4-Dicarboxyphenyl)-1,11-diethyl-3,4,8,9,10,11-hexahydro-2H-pyrido[3',2':6,7]chromeno[3,2-g]quinolin-1-ium (English)

6 October 2016

2 references

CHEBI:52796 (English)

matched by identifier from

6 October 2016

InChIKey

JSUSGWOUEVOMBB-UHFFFAOYSA-O

ChEBI ID

52796

mapping relation type

2 references

ATTO 565 meta-isomer(1+) (English)