2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dithiophen-2-yl-21,22-dihydroporphyrin

Systemtic Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dithiophen-2-yl-21,22-dihydroporphyrin Openeye Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(2-thienyl)-21,22-dihydroporphyrin CAS Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dithiophen-2-yl-21,22-dihydroporphyrin IUPAC Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dithiophen-2-yl-21,22-dihydroporphyrin Traditional Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(2-thienyl)-21,22-dihydroporphine Formula: C48H58N4S2 MolecularWeight: 755.13092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CCCC)C)C6=CC=CS6)C)CCCC)CCCC)C)C7=CC=CS7)C

Isomeric SMILES

CCCCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CCCC)C)C6=CC=CS6)C)CCCC)CCCC)C)C7=CC=CS7)C

InChI

InChI=1S/C48H58N4S2/c1-9-13-19-33-29(5)45-43(41-23-17-25-53-41)46-31(7)35(21-15-11-3)39(51-46)28-40-36(22-16-12-4)32(8)48(52-40)44(42-24-18-26-54-42)47-30(6)34(20-14-10-2)38(50-47)27-37(33)49-45/h17-18,23-28,49,51H,9-16,19-22H2,1-8H3