16-[4-(chlorosulfonyl)-2-sulfonatophenyl]-3λ⁴-oxa-9,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium



Compound number:
MolPort-039-101-262
CAS number: 82354-19-6
IUPAC:
16-[4-(chlorosulfonyl)-2-sulfonatophenyl]-3λ⁴-oxa-9,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium
IUPAC traditional:
sulforhodamine 101
SMILES:
[O-]S(=O)(=O)c1cc(ccc1-c1c2cc3CCCN4CCCc(c34)c2[o+]c2c3CCCN4CCCc(cc12)c34)S(Cl)(=O)=O
InChI key:
MPLHNVLQVRSVEE-UHFFFAOYSA-N
Molecular formula:
C31H29ClN2O6S2
Molecular weight: 625.15
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 4 business days Purity: No Data Available
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10 mg December 10, 2020 143.99 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-101-262
CAS number: 82354-19-6

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C31H29ClN2O6S2/c32-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-33-13-3-7-22(28(18)33)30(24)40-31-23-8-4-14-34-12-2-6-19(29(23)34)16-25(27)31/h9-10,15-17H,1-8,11-14H2
InChI key: MPLHNVLQVRSVEE-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C31H29ClN2O6S2
Molecular weight: 625.15

Other

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2020 MolPort, v4.05, release date 28-11-2020 20:00 (+0200). All rights reserved.
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