Products 748120-01-6
CAS 748120-01-6 is the registry number for Nerindocianine. Offered by: MedChemExpress. Available pack sizes: Get quote.
4-[(2Z)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate (CAS 748120-01-6) is a chemical compound with the molecular formula C44H52N2O16S5 and a molecular weight of 1025.2 g/mol. IUPAC name: 4-[(2Z)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate. InChIKey: FRMYEKPWHJAHIO-UHFFFAOYSA-N.
| Molecular formula | C44H52N2O16S5 |
|---|---|
| Molecular weight | 1025.2 g/mol |
| IUPAC name | 4-[(2Z)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate |
| InChIKey | FRMYEKPWHJAHIO-UHFFFAOYSA-N |
| SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)S(=O)(=O)O)CCCCS(=O)(=O)O)C |
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