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Substance Name: N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine
RN: 125295-40-1
InChIKey: MRGVHHUEFCTLKB-QMTQPZJVSA-N

Molecular Formula

  • C52-H35-N5-O13-S3

Molecular Weight

  • 1034.0685
 
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Names and Synonyms

Name of Substance

  • N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine

Synonym

  • N-Bzhcs3P

Systematic Name

  • Benzoic acid, 4-(23-((4-nitrophenyl)methyl)-10,15,20-tris(4-sulfophenyl)-21H,23H-porphin-5-yl)-

Registry Numbers

CAS Registry Number

  • 125295-40-1

System Generated Number

  • 0125295401

Structure Descriptors

InChI

1S/C52H35N5O13S3/c58-52(59)35-5-3-31(4-6-35)48-40-21-22-41(53-40)49(32-7-15-37(16-8-32)71(62,63)64)43-24-26-45(55-43)51(34-11-19-39(20-12-34)73(68,69)70)47-28-27-46(56(47)29-30-1-13-36(14-2-30)57(60)61)50(44-25-23-42(48)54-44)33-9-17-38(18-10-33)72(65,66)67/h1-28,53H,29H2,(H,58,59)(H,62,63,64)(H,65,66,67)(H,68,69,70)/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,51-47-

InChIKey

MRGVHHUEFCTLKB-QMTQPZJVSA-N

Smiles

c1cc(ccc1Cn\2c3/cc/c2c(/c4n/c(c(\c5ccc([nH]5)/c(c/6\nc(/c3/c7ccc(cc7)S(=O)(=O)O)C=C6)/c8ccc(cc8)C(=O)O)/c9ccc(cc9)S(=O)(=O)O)/C=C4)\c1ccc(cc1)S(=O)(=O)O)[N+](=O)[O-]